N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide

C18H14ClN3O — CID 162526714

IUPACN-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Cl)cc(-c2ccc3c(N)ccnc3c2)c1
InChIInChI=1S/C18H14ClN3O/c1-2-18(23)22-14-8-12(7-13(19)10-14)11-3-4-15-16(20)5-6-21-17(15)9-11/h2-10H,1H2,(H2,20,21)(H,22,23)
InChIKeyCTARMLWAHBPJBT-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.26
Rot. Bonds3

About N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide

N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide (PubChem CID 162526714) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide
PubChem CID162526714
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC NameN-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Cl)cc(-c2ccc3c(N)ccnc3c2)c1
InChIInChI=1S/C18H14ClN3O/c1-2-18(23)22-14-8-12(7-13(19)10-14)11-3-4-15-16(20)5-6-21-17(15)9-11/h2-10H,1H2,(H2,20,21)(H,22,23)
InChIKeyCTARMLWAHBPJBT-UHFFFAOYSA-N
XLogP4.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide
CID 162526824
N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide
CID 162526776
N-[3-(4-amino-3-ethanimidoylphenyl)-5-chlorophenyl]prop-2-enamide
CID 162526973
N-[3-[6-amino-5-[2-amino-7-[3-(prop-2-enoylamino)phenyl]quinazolin-4-yl]naphthalen-2-yl]phenyl]prop-2-enamide
CID 166915143
N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide
CID 162527695
N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide
CID 162527688
N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen
CID 162526966
5-[3-chloro-5-(prop-2-enoylamino)phenyl]-N-(2-methoxyethyl)-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 162527354
N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526689
3-fluoro-N-[6-[3-(prop-2-enoylamino)phenyl]quinolin-4-yl]benzamide
CID 162527103
N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
CID 162528250
N-[3-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]prop-2-enamide
CID 131876477

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide?
The IUPAC name of N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide (CID 162526714) is N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide?
The canonical SMILES for N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide is C=CC(=O)Nc1cc(Cl)cc(-c2ccc3c(N)ccnc3c2)c1.
What is the InChIKey of N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide?
The InChIKey is CTARMLWAHBPJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-2-18(23)22-14-8-12(7-13(19)10-14)11-3-4-15-16(20)5-6-21-17(15)9-11/h2-10H,1H2,(H2,20,21)(H,22,23).
What are the key properties of N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide?
N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide has a molecular weight of 323.78 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide is sourced from PubChem (CID 162526714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).