2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide

C25H35N3O4 — CID 10599286

IUPAC2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCCC(c1nc2ccccc2c(=O)n1NC(=O)CC1(O)CCCCC1)C1(O)CCCCC1
InChIInChI=1S/C25H35N3O4/c1-2-19(25(32)15-9-4-10-16-25)22-26-20-12-6-5-11-18(20)23(30)28(22)27-21(29)17-24(31)13-7-3-8-14-24/h5-6,11-12,19,31-32H,2-4,7-10,13-17H2,1H3,(H,27,29)
InChIKeyKDDFXHIQXWGWNI-UHFFFAOYSA-N
MW441.57 g/mol
LogP3.74
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide

2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide (PubChem CID 10599286) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide
PubChem CID10599286
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCCC(c1nc2ccccc2c(=O)n1NC(=O)CC1(O)CCCCC1)C1(O)CCCCC1
InChIInChI=1S/C25H35N3O4/c1-2-19(25(32)15-9-4-10-16-25)22-26-20-12-6-5-11-18(20)23(30)28(22)27-21(29)17-24(31)13-7-3-8-14-24/h5-6,11-12,19,31-32H,2-4,7-10,13-17H2,1H3,(H,27,29)
InChIKeyKDDFXHIQXWGWNI-UHFFFAOYSA-N
XLogP3.74
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide
CID 10829136
2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326
3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one
CID 10587365
N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
CID 24823328
N-(2-methyl-4-oxoquinazolin-3-yl)hexanamide
CID 5090042
N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide
CID 10912745
N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838498
2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide
CID 70838370
2-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 68754311
N-ethyl-2-(1-hydroxycyclopentyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136821194
N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide
CID 12994903
2-(1-hydroxycyclohexyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 111331643

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide (CID 10599286) is 2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide is CCC(c1nc2ccccc2c(=O)n1NC(=O)CC1(O)CCCCC1)C1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is KDDFXHIQXWGWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-2-19(25(32)15-9-4-10-16-25)22-26-20-12-6-5-11-18(20)23(30)28(22)27-21(29)17-24(31)13-7-3-8-14-24/h5-6,11-12,19,31-32H,2-4,7-10,13-17H2,1H3,(H,27,29).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide?
2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 441.57 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[2-[1-(1-hydroxycyclohexyl)propyl]-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 10599286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).