4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride

C18H25ClN4O2 — CID 137119936

IUPAC4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
SMILESCl.O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCCC1CCNC1
InChIInChI=1S/C18H24N4O2.ClH/c23-17(20-11-9-13-8-10-19-12-13)7-3-6-16-21-15-5-2-1-4-14(15)18(24)22-16;/h1-2,4-5,13,19H,3,6-12H2,(H,20,23)(H,21,22,24);1H
InChIKeyWTTVWKQTHUEHOC-UHFFFAOYSA-N
MW364.88 g/mol
LogP1.78
Rot. Bonds7

About 4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride

4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride (PubChem CID 137119936) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
PubChem CID137119936
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
SMILESCl.O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCCC1CCNC1
InChIInChI=1S/C18H24N4O2.ClH/c23-17(20-11-9-13-8-10-19-12-13)7-3-6-16-21-15-5-2-1-4-14(15)18(24)22-16;/h1-2,4-5,13,19H,3,6-12H2,(H,20,23)(H,21,22,24);1H
InChIKeyWTTVWKQTHUEHOC-UHFFFAOYSA-N
XLogP1.78
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride with MolForge

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Related Compounds

N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one
CID 136767078
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137279481
4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119533664
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634
4-ethyl-1-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]cyclohexane-1-carboxylic acid
CID 137133644
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135904863
N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one
CID 144584648
4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide
CID 135675737
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135890799

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride (CID 137119936) is 4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride is Cl.O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCCC1CCNC1.
What is the InChIKey of 4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The InChIKey is WTTVWKQTHUEHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c23-17(20-11-9-13-8-10-19-12-13)7-3-6-16-21-15-5-2-1-4-14(15)18(24)22-16;/h1-2,4-5,13,19H,3,6-12H2,(H,20,23)(H,21,22,24);1H.
What are the key properties of 4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 137119936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).