3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine

C24H21ClN4 — CID 71450249

IUPAC3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine
SMILESClc1ccc2c(Nc3ccc4c(c3)NCN(Cc3ccccc3)C4)ccnc2c1
InChIInChI=1S/C24H21ClN4/c25-19-7-9-21-22(10-11-26-24(21)12-19)28-20-8-6-18-15-29(16-27-23(18)13-20)14-17-4-2-1-3-5-17/h1-13,27H,14-16H2,(H,26,28)
InChIKeyOMPKZXGSICWCIP-UHFFFAOYSA-N
MW400.91 g/mol
LogP6.02
Rot. Bonds4

About 3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine

3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine (PubChem CID 71450249) has the molecular formula C24H21ClN4 and a molecular weight of 400.91 g/mol. Its IUPAC name is 3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine.

Molecular Properties

Compound Name3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine
PubChem CID71450249
Molecular FormulaC24H21ClN4
Molecular Weight400.91 g/mol
Exact Mass400.15
IUPAC Name3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine
SMILESClc1ccc2c(Nc3ccc4c(c3)NCN(Cc3ccccc3)C4)ccnc2c1
InChIInChI=1S/C24H21ClN4/c25-19-7-9-21-22(10-11-26-24(21)12-19)28-20-8-6-18-15-29(16-27-23(18)13-20)14-17-4-2-1-3-5-17/h1-13,27H,14-16H2,(H,26,28)
InChIKeyOMPKZXGSICWCIP-UHFFFAOYSA-N
XLogP6.02
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine with MolForge

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Related Compounds

7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44572763
4-[(7-chloroquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol;hydron;dichloride
CID 91981319
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
N-[3-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-4-fluorophenyl]-7-chloroquinolin-4-amine
CID 132525418
7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44572182
3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
CID 24884898
7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
CID 24774969
7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
CID 53250975
4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
CID 629366
7-chloro-N-(3-methoxyphenyl)quinolin-4-amine
CID 50877151
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine?
The IUPAC name of 3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine (CID 71450249) is 3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine.
What is the SMILES notation for 3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine?
The canonical SMILES for 3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine is Clc1ccc2c(Nc3ccc4c(c3)NCN(Cc3ccccc3)C4)ccnc2c1.
What is the InChIKey of 3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine?
The InChIKey is OMPKZXGSICWCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4/c25-19-7-9-21-22(10-11-26-24(21)12-19)28-20-8-6-18-15-29(16-27-23(18)13-20)14-17-4-2-1-3-5-17/h1-13,27H,14-16H2,(H,26,28).
What are the key properties of 3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine?
3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine has a molecular weight of 400.91 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine is sourced from PubChem (CID 71450249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).