diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid

C54H71I3N12O5 — CID 157345480

IUPACdiiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid
SMILESCI.CN(C)C(=O)c1cccc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)n1.CNC.ICI.O=C(O)c1cccc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)n1
InChIInChI=1S/C26H32N6O2.C24H27N5O3.C2H7N.CH2I2.CH3I/c1-31(2)26(33)24-5-3-4-22(30-24)18-6-11-23-21(16-18)25(28-17-27-23)29-19-7-9-20(10-8-19)32-12-14-34-15-13-32;30-24(31)22-3-1-2-20(28-22)16-4-9-21-19(14-16)23(26-15-25-21)27-17-5-7-18(8-6-17)29-10-12-32-13-11-29;1-3-2;2-1-3;1-2/h3-6,11,16-17,19-20H,7-10,12-15H2,1-2H3,(H,27,28,29);1-4,9,14-15,17-18H,5-8,10-13H2,(H,30,31)(H,25,26,27);3H,1-2H3;1H2;1H3
InChIKeyBGXJUHGJSBPUER-UHFFFAOYSA-N
MW1348.95 g/mol
LogP9.59
Rot. Bonds10

About diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid

diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid (PubChem CID 157345480) has the molecular formula C54H71I3N12O5 and a molecular weight of 1348.95 g/mol. Its IUPAC name is diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Namediiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid
PubChem CID157345480
Molecular FormulaC54H71I3N12O5
Molecular Weight1348.95 g/mol
Exact Mass1348.28
IUPAC Namediiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid
SMILESCI.CN(C)C(=O)c1cccc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)n1.CNC.ICI.O=C(O)c1cccc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)n1
InChIInChI=1S/C26H32N6O2.C24H27N5O3.C2H7N.CH2I2.CH3I/c1-31(2)26(33)24-5-3-4-22(30-24)18-6-11-23-21(16-18)25(28-17-27-23)29-19-7-9-20(10-8-19)32-12-14-34-15-13-32;30-24(31)22-3-1-2-20(28-22)16-4-9-21-19(14-16)23(26-15-25-21)27-17-5-7-18(8-6-17)29-10-12-32-13-11-29;1-3-2;2-1-3;1-2/h3-6,11,16-17,19-20H,7-10,12-15H2,1-2H3,(H,27,28,29);1-4,9,14-15,17-18H,5-8,10-13H2,(H,30,31)(H,25,26,27);3H,1-2H3;1H2;1H3
InChIKeyBGXJUHGJSBPUER-UHFFFAOYSA-N
XLogP9.59
TPSA195.98 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001348.95
LogP ≤ 59.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9969749, Example 4-1
CID 121265985
US9969749, Example 2-8
CID 121266058
8-[(2S)-1-[[6-(6-ethyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(1-hydroxyethyl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[6-(pentan-3-ylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 158075632
8-[(2S)-1-[[6-(6-ethyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[6-(1-hydroxyethyl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 158130557
N-cyclopropyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 158313859
6-[4-(methylamino)-2-quinolin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-2-carboxylic acid
CID 177895753
22-[3-[[2-[(9-carboxy-5,6-dihydro-1,10-phenanthrolin-2-yl)carbamoyl]-2,3,4,6,7,8,9,9a-octahydro-1H-pyrimido[1,2-a]pyrimidin-9-ium-8-carbonyl]amino]piperidine-1-carbonyl]-2,5,23,26-tetrazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1(26),2,4(9),5,7,12,14,16(25),19(24),20,22-undecaene-6-carboxylic acid
CID 21306180
9-[2-[[1-[(7-Acetamidonaphthalen-2-yl)amino]-1-oxopropan-2-yl]carbamoyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-9a-id-8-yl]-8-methyl-5,6-dihydropyrido[2,3-b][1,10]phenanthroline-2-carboxylic acid
CID 21306189
9-[2-[[1-[(7-Acetamidonaphthalen-2-yl)amino]-1-oxopropan-2-yl]carbamoyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]-8-methyl-5,6-dihydropyrido[2,3-b][1,10]phenanthroline-2-carboxylic acid
CID 21306191
9-[2-[(9-Carboxy-4-methyl-5,6,8,9-tetrahydro-1,10-phenanthrolin-2-yl)carbamoyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-9a-id-8-yl]-8-methyl-5,6-dihydropyrido[2,3-b][1,10]phenanthroline-2-carboxylic acid
CID 21306209
9-[2-[(9-Carboxy-4-methyl-5,6,8,9-tetrahydro-1,10-phenanthrolin-2-yl)carbamoyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]-8-methyl-5,6-dihydropyrido[2,3-b][1,10]phenanthroline-2-carboxylic acid
CID 21306211
22-[3-[[8-[(11,12-Dimethyl-1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)methylcarbamoyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-2-carbonyl]amino]piperidine-1-carbonyl]-2,5,23,26-tetrazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1(26),2,4(9),5,7,12,14,16(25),19(24),20,22-undecaene-6-carboxylic acid
CID 21306212

Frequently Asked Questions

What is the IUPAC name of diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid?
The IUPAC name of diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid (CID 157345480) is diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid?
The canonical SMILES for diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid is CI.CN(C)C(=O)c1cccc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)n1.CNC.ICI.O=C(O)c1cccc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)n1.
What is the InChIKey of diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid?
The InChIKey is BGXJUHGJSBPUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2.C24H27N5O3.C2H7N.CH2I2.CH3I/c1-31(2)26(33)24-5-3-4-22(30-24)18-6-11-23-21(16-18)25(28-17-27-23)29-19-7-9-20(10-8-19)32-12-14-34-15-13-32;30-24(31)22-3-1-2-20(28-22)16-4-9-21-19(14-16)23(26-15-25-21)27-17-5-7-18(8-6-17)29-10-12-32-13-11-29;1-3-2;2-1-3;1-2/h3-6,11,16-17,19-20H,7-10,12-15H2,1-2H3,(H,27,28,29);1-4,9,14-15,17-18H,5-8,10-13H2,(H,30,31)(H,25,26,27);3H,1-2H3;1H2;1H3.
What are the key properties of diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid?
diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid has a molecular weight of 1348.95 g/mol, XLogP of 9.59, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for diiodomethane;N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide;iodomethane;N-methylmethanamine;6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 157345480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).