2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one

C20H27N3O — CID 137011728

IUPAC2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCN(CC2CCCCC2)C2CC2)nc2ccccc12
InChIInChI=1S/C20H27N3O/c24-20-17-8-4-5-9-18(17)21-19(22-20)12-13-23(16-10-11-16)14-15-6-2-1-3-7-15/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,21,22,24)
InChIKeyNJGYMTKQFGKQMG-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.51
Rot. Bonds6

About 2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one

2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one (PubChem CID 137011728) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one
PubChem CID137011728
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCN(CC2CCCCC2)C2CC2)nc2ccccc12
InChIInChI=1S/C20H27N3O/c24-20-17-8-4-5-9-18(17)21-19(22-20)12-13-23(16-10-11-16)14-15-6-2-1-3-7-15/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,21,22,24)
InChIKeyNJGYMTKQFGKQMG-UHFFFAOYSA-N
XLogP3.51
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one
CID 137011715
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866
2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135889564
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
CID 135429091
N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide
CID 135718611
2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
CID 135960513
2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one
CID 147235062
1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
CID 135481243
2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136733737
2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one
CID 135891186
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one (CID 137011728) is 2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one is O=c1[nH]c(CCN(CC2CCCCC2)C2CC2)nc2ccccc12.
What is the InChIKey of 2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is NJGYMTKQFGKQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c24-20-17-8-4-5-9-18(17)21-19(22-20)12-13-23(16-10-11-16)14-15-6-2-1-3-7-15/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,21,22,24).
What are the key properties of 2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one?
2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 325.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137011728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).