1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride

C22H23ClN4O — CID 57435013

IUPAC1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1
InChIInChI=1S/C22H22N4O.ClH/c27-21-5-2-10-26(21)13-15-3-1-4-16(11-15)17-6-9-20-19(12-17)22(24-14-23-20)25-18-7-8-18;/h1,3-4,6,9,11-12,14,18H,2,5,7-8,10,13H2,(H,23,24,25);1H
InChIKeyMCZQSMZSMLWXCE-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.42
Rot. Bonds5

About 1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride

1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride (PubChem CID 57435013) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
PubChem CID57435013
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1
InChIInChI=1S/C22H22N4O.ClH/c27-21-5-2-10-26(21)13-15-3-1-4-16(11-15)17-6-9-20-19(12-17)22(24-14-23-20)25-18-7-8-18;/h1,3-4,6,9,11-12,14,18H,2,5,7-8,10,13H2,(H,23,24,25);1H
InChIKeyMCZQSMZSMLWXCE-UHFFFAOYSA-N
XLogP4.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride with MolForge

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Related Compounds

8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
CID 57435027
6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine
CID 68942507
2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide
CID 57435011
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide
CID 57435010
1-[[3-[4-(cyclopropylamino)-2-phenylquinazolin-6-yl]phenyl]methyl]pyrrolidine-2,5-dione
CID 57435052
N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]phenyl]quinazolin-4-amine;pyrazine-2-carboxylic acid
CID 172857134
N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]phenyl]quinazolin-4-amine;pentanoic acid
CID 172789188
6-chloro-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 87630600
N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]isoquinoline-3-carboxamide
CID 45121578
N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide
CID 68945376
N-cyclopropyl-6-[3-[1-(cyclopropylamino)ethyl]phenyl]quinazolin-4-amine
CID 68946542
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride (CID 57435013) is 1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride is Cl.O=C1CCCN1Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1.
What is the InChIKey of 1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is MCZQSMZSMLWXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.ClH/c27-21-5-2-10-26(21)13-15-3-1-4-16(11-15)17-6-9-20-19(12-17)22(24-14-23-20)25-18-7-8-18;/h1,3-4,6,9,11-12,14,18H,2,5,7-8,10,13H2,(H,23,24,25);1H.
What are the key properties of 1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 394.91 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 57435013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).