N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide

C17H22N4O2 — CID 119574378

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(CN)(NC(=O)CCn1cnc2ccccc2c1=O)C1CC1
InChIInChI=1S/C17H22N4O2/c1-17(10-18,12-6-7-12)20-15(22)8-9-21-11-19-14-5-3-2-4-13(14)16(21)23/h2-5,11-12H,6-10,18H2,1H3,(H,20,22)
InChIKeyCMNJECXQQXGLON-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.03
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 119574378) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID119574378
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(CN)(NC(=O)CCn1cnc2ccccc2c1=O)C1CC1
InChIInChI=1S/C17H22N4O2/c1-17(10-18,12-6-7-12)20-15(22)8-9-21-11-19-14-5-3-2-4-13(14)16(21)23/h2-5,11-12H,6-10,18H2,1H3,(H,20,22)
InChIKeyCMNJECXQQXGLON-UHFFFAOYSA-N
XLogP1.03
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 119573319
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 111480037
3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462556
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide
CID 26122035
3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35246626
N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52516514

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 119574378) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide is CC(CN)(NC(=O)CCn1cnc2ccccc2c1=O)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is CMNJECXQQXGLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(10-18,12-6-7-12)20-15(22)8-9-21-11-19-14-5-3-2-4-13(14)16(21)23/h2-5,11-12H,6-10,18H2,1H3,(H,20,22).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 119574378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).