N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide

C19H25N3O2 — CID 135539284

IUPACN-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCCC1c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)22-18(24)13-9-5-4-8-12(13)16-20-15-11-7-6-10-14(15)17(23)21-16/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,22,24)(H,20,21,23)
InChIKeyVENVWMKFUNJILF-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.11
Rot. Bonds2

About N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide

N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide (PubChem CID 135539284) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide
PubChem CID135539284
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCCC1c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)22-18(24)13-9-5-4-8-12(13)16-20-15-11-7-6-10-14(15)17(23)21-16/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,22,24)(H,20,21,23)
InChIKeyVENVWMKFUNJILF-UHFFFAOYSA-N
XLogP3.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209357
trans-(1R,3R)-3-[(4-oxo-3H-quinazolin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 136803515
trans-(1S,3S)-3-[(4-oxo-3H-quinazolin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 136803514
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821063
2,2-dimethyl-3-(4-oxo-3H-quinazolin-2-yl)cyclopropane-1-carboxylic acid
CID 135636624
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136920277
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
CID 135429091
2-(3-methylsulfanylazepan-1-yl)-3H-quinazolin-4-one
CID 137258116
2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one
CID 136503291

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide (CID 135539284) is N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide is CC(C)(C)NC(=O)C1CCCCC1c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide?
The InChIKey is VENVWMKFUNJILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,3)22-18(24)13-9-5-4-8-12(13)16-20-15-11-7-6-10-14(15)17(23)21-16/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,22,24)(H,20,21,23).
What are the key properties of N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide?
N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 135539284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).