2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide

C24H29ClN6O — CID 91288602

IUPAC2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide
SMILESCN(C)c1nc(NC2CCC(N(CC(N)=O)c3cccc(Cl)c3)CC2)nc2ccccc12
InChIInChI=1S/C24H29ClN6O/c1-30(2)23-20-8-3-4-9-21(20)28-24(29-23)27-17-10-12-18(13-11-17)31(15-22(26)32)19-7-5-6-16(25)14-19/h3-9,14,17-18H,10-13,15H2,1-2H3,(H2,26,32)(H,27,28,29)
InChIKeyDNAJZEVIYDSAQX-UHFFFAOYSA-N
MW452.99 g/mol
LogP4.06
Rot. Bonds7

About 2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide

2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide (PubChem CID 91288602) has the molecular formula C24H29ClN6O and a molecular weight of 452.99 g/mol. Its IUPAC name is 2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide
PubChem CID91288602
Molecular FormulaC24H29ClN6O
Molecular Weight452.99 g/mol
Exact Mass452.21
IUPAC Name2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide
SMILESCN(C)c1nc(NC2CCC(N(CC(N)=O)c3cccc(Cl)c3)CC2)nc2ccccc12
InChIInChI=1S/C24H29ClN6O/c1-30(2)23-20-8-3-4-9-21(20)28-24(29-23)27-17-10-12-18(13-11-17)31(15-22(26)32)19-7-5-6-16(25)14-19/h3-9,14,17-18H,10-13,15H2,1-2H3,(H2,26,32)(H,27,28,29)
InChIKeyDNAJZEVIYDSAQX-UHFFFAOYSA-N
XLogP4.06
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide with MolForge

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Related Compounds

[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68955806
4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68885134
1-(4-chloro-2-methylphenyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]urea
CID 68957723
benzyl 4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylate
CID 68886825
N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68959773
1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2,3,5,6-tetrachlorophenyl)urea
CID 11489612
4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide
CID 68885137
1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612634
2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide
CID 142667408
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane
CID 157175522
[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate
CID 68885559

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide?
The IUPAC name of 2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide (CID 91288602) is 2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide.
What is the SMILES notation for 2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide?
The canonical SMILES for 2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide is CN(C)c1nc(NC2CCC(N(CC(N)=O)c3cccc(Cl)c3)CC2)nc2ccccc12.
What is the InChIKey of 2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide?
The InChIKey is DNAJZEVIYDSAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O/c1-30(2)23-20-8-3-4-9-21(20)28-24(29-23)27-17-10-12-18(13-11-17)31(15-22(26)32)19-7-5-6-16(25)14-19/h3-9,14,17-18H,10-13,15H2,1-2H3,(H2,26,32)(H,27,28,29).
What are the key properties of 2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide?
2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide has a molecular weight of 452.99 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide is sourced from PubChem (CID 91288602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).