4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide

C33H29F2N7O3 — CID 57334726

IUPAC4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cc(F)c(-c5cccnc5F)cc4n3)cc2)cc1
InChIInChI=1S/C33H29F2N7O3/c1-41(2)32(43)21-7-11-23(12-8-21)38-33(44)37-22-9-5-20(6-10-22)30-39-28-19-25(24-4-3-13-36-29(24)35)27(34)18-26(28)31(40-30)42-14-16-45-17-15-42/h3-13,18-19H,14-17H2,1-2H3,(H2,37,38,44)
InChIKeyZOPJTMGQHCBFNN-UHFFFAOYSA-N
MW609.64 g/mol
LogP5.82
Rot. Bonds6

About 4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide

4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide (PubChem CID 57334726) has the molecular formula C33H29F2N7O3 and a molecular weight of 609.64 g/mol. Its IUPAC name is 4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
PubChem CID57334726
Molecular FormulaC33H29F2N7O3
Molecular Weight609.64 g/mol
Exact Mass609.23
IUPAC Name4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cc(F)c(-c5cccnc5F)cc4n3)cc2)cc1
InChIInChI=1S/C33H29F2N7O3/c1-41(2)32(43)21-7-11-23(12-8-21)38-33(44)37-22-9-5-20(6-10-22)30-39-28-19-25(24-4-3-13-36-29(24)35)27(34)18-26(28)31(40-30)42-14-16-45-17-15-42/h3-13,18-19H,14-17H2,1-2H3,(H2,37,38,44)
InChIKeyZOPJTMGQHCBFNN-UHFFFAOYSA-N
XLogP5.82
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.64
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide 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

N-(4-methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido(4,5-d)pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 11478363
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
CID 24963046
Sgi-1027
CID 24858111
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
Aminoquinazoline amide, 35
CID 25138148
4-Azanyl-6-[[(1~{s})-1-(6-Fluoranyl-3-Phenyl-4-Piperazin-1-Ylcarbonyl-Quinolin-2-Yl)ethyl]amino]pyrimidine-5-Carbonitrile
CID 49872646
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 11648060
4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)benzamide
CID 11678175
2-fluoro-N-{2-[5-methyl-6-(morpholin-4-yl)pyridin-3-yl]propan-2-yl}-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748745
N-(2-Methoxyethyl)-4-[(6-Pyridin-4-Ylquinazolin-2-Yl)amino]benzamide
CID 24891645

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide (CID 57334726) is 4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cc(F)c(-c5cccnc5F)cc4n3)cc2)cc1.
What is the InChIKey of 4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?
The InChIKey is ZOPJTMGQHCBFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F2N7O3/c1-41(2)32(43)21-7-11-23(12-8-21)38-33(44)37-22-9-5-20(6-10-22)30-39-28-19-25(24-4-3-13-36-29(24)35)27(34)18-26(28)31(40-30)42-14-16-45-17-15-42/h3-13,18-19H,14-17H2,1-2H3,(H2,37,38,44).
What are the key properties of 4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?
4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide has a molecular weight of 609.64 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 57334726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).