4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine

C24H30ClN5O — CID 142229210

IUPAC4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCN(C)c1nc(N)nc2ccccc12.O=C(NCC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO.C10H12N4/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11;1-14(2)9-7-5-3-4-6-8(7)12-10(11)13-9/h6-9,11H,1-5,10H2,(H,16,17);3-6H,1-2H3,(H2,11,12,13)
InChIKeyWARUOUMOVGWHJV-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.93
Rot. Bonds4

About 4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine

4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine (PubChem CID 142229210) has the molecular formula C24H30ClN5O and a molecular weight of 439.99 g/mol. Its IUPAC name is 4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine
PubChem CID142229210
Molecular FormulaC24H30ClN5O
Molecular Weight439.99 g/mol
Exact Mass439.21
IUPAC Name4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCN(C)c1nc(N)nc2ccccc12.O=C(NCC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO.C10H12N4/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11;1-14(2)9-7-5-3-4-6-8(7)12-10(11)13-9/h6-9,11H,1-5,10H2,(H,16,17);3-6H,1-2H3,(H2,11,12,13)
InChIKeyWARUOUMOVGWHJV-UHFFFAOYSA-N
XLogP4.93
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-2,5-bis(trifluoromethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142229775
4-acetyl-N-[(4-ethylcyclohexyl)methyl]benzamide;N,N,2-trimethylquinazolin-4-amine
CID 142229164
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-4-fluoro-3-methylbenzamide
CID 10296688
2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide
CID 142231025
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
5-(4-chlorophenyl)-N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 161077200
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-4-fluoro-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 158022606
3-chloro-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2-fluorobenzamide
CID 142228789
N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 142228779
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane
CID 157175522
1-(cyclohexylmethyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]thiourea
CID 87612122

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine?
The IUPAC name of 4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine (CID 142229210) is 4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine.
What is the SMILES notation for 4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine?
The canonical SMILES for 4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine is CN(C)c1nc(N)nc2ccccc12.O=C(NCC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine?
The InChIKey is WARUOUMOVGWHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO.C10H12N4/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11;1-14(2)9-7-5-3-4-6-8(7)12-10(11)13-9/h6-9,11H,1-5,10H2,(H,16,17);3-6H,1-2H3,(H2,11,12,13).
What are the key properties of 4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine?
4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine has a molecular weight of 439.99 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine is sourced from PubChem (CID 142229210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).