4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide

C22H34N6O — CID 67719987

IUPAC4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
SMILESCCN(CC)CCNc1nc(NCC2CCC(C(N)=O)CC2)nc2ccccc12
InChIInChI=1S/C22H34N6O/c1-3-28(4-2)14-13-24-21-18-7-5-6-8-19(18)26-22(27-21)25-15-16-9-11-17(12-10-16)20(23)29/h5-8,16-17H,3-4,9-15H2,1-2H3,(H2,23,29)(H2,24,25,26,27)
InChIKeyWQPNTIIBEVIDPG-UHFFFAOYSA-N
MW398.56 g/mol
LogP3.09
Rot. Bonds10

About 4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide

4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide (PubChem CID 67719987) has the molecular formula C22H34N6O and a molecular weight of 398.56 g/mol. Its IUPAC name is 4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
PubChem CID67719987
Molecular FormulaC22H34N6O
Molecular Weight398.56 g/mol
Exact Mass398.28
IUPAC Name4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
SMILESCCN(CC)CCNc1nc(NCC2CCC(C(N)=O)CC2)nc2ccccc12
InChIInChI=1S/C22H34N6O/c1-3-28(4-2)14-13-24-21-18-7-5-6-8-19(18)26-22(27-21)25-15-16-9-11-17(12-10-16)20(23)29/h5-8,16-17H,3-4,9-15H2,1-2H3,(H2,23,29)(H2,24,25,26,27)
InChIKeyWQPNTIIBEVIDPG-UHFFFAOYSA-N
XLogP3.09
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 67720335
4-[[[4-[2-(4-methylpiperazin-1-yl)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 67718035
4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 68850271
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine
CID 80938208
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
CID 12703241
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide
CID 54080981
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide (CID 67719987) is 4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide is CCN(CC)CCNc1nc(NCC2CCC(C(N)=O)CC2)nc2ccccc12.
What is the InChIKey of 4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
The InChIKey is WQPNTIIBEVIDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O/c1-3-28(4-2)14-13-24-21-18-7-5-6-8-19(18)26-22(27-21)25-15-16-9-11-17(12-10-16)20(23)29/h5-8,16-17H,3-4,9-15H2,1-2H3,(H2,23,29)(H2,24,25,26,27).
What are the key properties of 4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide has a molecular weight of 398.56 g/mol, XLogP of 3.09, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 67719987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).