7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine

C17H16ClN3 — CID 1475072

IUPAC7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
SMILESCC(C)c1ccc(Nc2ncnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H16ClN3/c1-11(2)12-3-6-14(7-4-12)21-17-15-8-5-13(18)9-16(15)19-10-20-17/h3-11H,1-2H3,(H,19,20,21)
InChIKeyKHBHJQRIJRLQHU-UHFFFAOYSA-N
MW297.79 g/mol
LogP5.15
Rot. Bonds3

About 7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine

7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine (PubChem CID 1475072) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
PubChem CID1475072
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
SMILESCC(C)c1ccc(Nc2ncnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H16ClN3/c1-11(2)12-3-6-14(7-4-12)21-17-15-8-5-13(18)9-16(15)19-10-20-17/h3-11H,1-2H3,(H,19,20,21)
InChIKeyKHBHJQRIJRLQHU-UHFFFAOYSA-N
XLogP5.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.79
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 110434658
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
CID 166321938
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875068
1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine
CID 133346889
2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide
CID 42961075
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
1-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590091
2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol
CID 86839626

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
The IUPAC name of 7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine (CID 1475072) is 7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine is CC(C)c1ccc(Nc2ncnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
The InChIKey is KHBHJQRIJRLQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-11(2)12-3-6-14(7-4-12)21-17-15-8-5-13(18)9-16(15)19-10-20-17/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine has a molecular weight of 297.79 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 1475072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).