4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride

C21H24ClN5O — CID 154885877

IUPAC4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride
SMILESCl.NCCc1nc(NC2CC(=O)N(Cc3ccccc3)C2)c2ccccc2n1
InChIInChI=1S/C21H23N5O.ClH/c22-11-10-19-24-18-9-5-4-8-17(18)21(25-19)23-16-12-20(27)26(14-16)13-15-6-2-1-3-7-15;/h1-9,16H,10-14,22H2,(H,23,24,25);1H
InChIKeyYQCOEOUGPVXQOH-UHFFFAOYSA-N
MW397.91 g/mol
LogP2.77
Rot. Bonds6

About 4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride

4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride (PubChem CID 154885877) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is 4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride
PubChem CID154885877
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride
SMILESCl.NCCc1nc(NC2CC(=O)N(Cc3ccccc3)C2)c2ccccc2n1
InChIInChI=1S/C21H23N5O.ClH/c22-11-10-19-24-18-9-5-4-8-17(18)21(25-19)23-16-12-20(27)26(14-16)13-15-6-2-1-3-7-15;/h1-9,16H,10-14,22H2,(H,23,24,25);1H
InChIKeyYQCOEOUGPVXQOH-UHFFFAOYSA-N
XLogP2.77
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride with MolForge

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Related Compounds

(4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 95563902
1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one
CID 154860377
(2R)-2-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]amino]-2-phenylacetamide
CID 95348321
2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine
CID 50964550
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,6-difluorophenyl)urea
CID 108876524
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 108876487
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 42465722
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 95594104
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide
CID 95324569
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 95275479
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride (CID 154885877) is 4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride is Cl.NCCc1nc(NC2CC(=O)N(Cc3ccccc3)C2)c2ccccc2n1.
What is the InChIKey of 4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride?
The InChIKey is YQCOEOUGPVXQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.ClH/c22-11-10-19-24-18-9-5-4-8-17(18)21(25-19)23-16-12-20(27)26(14-16)13-15-6-2-1-3-7-15;/h1-9,16H,10-14,22H2,(H,23,24,25);1H.
What are the key properties of 4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride?
4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride has a molecular weight of 397.91 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 154885877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).