N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide

C28H34N6O2 — CID 69015517

IUPACN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCN(C)c1nc(NC2CCC(C(=O)NCc3cccc(NC(=O)C4CC4)c3)CC2)nc2ccccc12
InChIInChI=1S/C28H34N6O2/c1-34(2)25-23-8-3-4-9-24(23)32-28(33-25)31-21-14-12-19(13-15-21)26(35)29-17-18-6-5-7-22(16-18)30-27(36)20-10-11-20/h3-9,16,19-21H,10-15,17H2,1-2H3,(H,29,35)(H,30,36)(H,31,32,33)
InChIKeySTRLYTZPFDCLND-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.33
Rot. Bonds8

About N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 69015517) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID69015517
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCN(C)c1nc(NC2CCC(C(=O)NCc3cccc(NC(=O)C4CC4)c3)CC2)nc2ccccc12
InChIInChI=1S/C28H34N6O2/c1-34(2)25-23-8-3-4-9-24(23)32-28(33-25)31-21-14-12-19(13-15-21)26(35)29-17-18-6-5-7-22(16-18)30-27(36)20-10-11-20/h3-9,16,19-21H,10-15,17H2,1-2H3,(H,29,35)(H,30,36)(H,31,32,33)
InChIKeySTRLYTZPFDCLND-UHFFFAOYSA-N
XLogP4.33
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide
CID 68885137
4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-(3-nitrophenyl)cyclohexane-1-carboxamide
CID 68883218
N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68959773
N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68885134
4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
N-[(3-chloro-2,6-difluorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68886216
benzyl 4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylate
CID 68886825
1-(3-cyanophenyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]urea
CID 69475566
1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-[(3-methylphenyl)methyl]thiourea
CID 87848678
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 91610132
4-N,4-N-dimethyl-2-N-[4-[[3-(trifluoromethyl)phenyl]methylamino]cyclohexyl]quinazoline-2,4-diamine;methane
CID 158892668
[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68955806

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide (CID 69015517) is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide is CN(C)c1nc(NC2CCC(C(=O)NCc3cccc(NC(=O)C4CC4)c3)CC2)nc2ccccc12.
What is the InChIKey of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is STRLYTZPFDCLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-34(2)25-23-8-3-4-9-24(23)32-28(33-25)31-21-14-12-19(13-15-21)26(35)29-17-18-6-5-7-22(16-18)30-27(36)20-10-11-20/h3-9,16,19-21H,10-15,17H2,1-2H3,(H,29,35)(H,30,36)(H,31,32,33).
What are the key properties of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide?
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 69015517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).