3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide

C19H30N4O — CID 133460892

IUPAC3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCc1nc2c(c(NC3CCCC(C(=O)NC(C)C)C3)n1)CCCC2
InChIInChI=1S/C19H30N4O/c1-12(2)20-19(24)14-7-6-8-15(11-14)23-18-16-9-4-5-10-17(16)21-13(3)22-18/h12,14-15H,4-11H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyZAQFUBCHCAZXNV-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.16
Rot. Bonds4

About 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide

3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 133460892) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID133460892
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCc1nc2c(c(NC3CCCC(C(=O)NC(C)C)C3)n1)CCCC2
InChIInChI=1S/C19H30N4O/c1-12(2)20-19(24)14-7-6-8-15(11-14)23-18-16-9-4-5-10-17(16)21-13(3)22-18/h12,14-15H,4-11H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyZAQFUBCHCAZXNV-UHFFFAOYSA-N
XLogP3.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide with MolForge

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Related Compounds

cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133472550
2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461640
cis-(1S,3R)-3-[(5-bromopyrimidin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 95770562
2-methyl-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 83836753
N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462048
3-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 133339717
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
1-[4-(cyclopropylamino)-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-2-hydroxy-2-methylpropan-1-one
CID 97404658
N-cyclopentyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105491814
1-[4-[(3S)-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one
CID 146076803
trans-(1S,3S)-3-[(4-oxo-3H-quinazolin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 136803514
trans-(1R,3R)-3-[(4-oxo-3H-quinazolin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 136803515

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide (CID 133460892) is 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide is Cc1nc2c(c(NC3CCCC(C(=O)NC(C)C)C3)n1)CCCC2.
What is the InChIKey of 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is ZAQFUBCHCAZXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-12(2)20-19(24)14-7-6-8-15(11-14)23-18-16-9-4-5-10-17(16)21-13(3)22-18/h12,14-15H,4-11H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide?
3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 133460892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).