N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide

C18H14ClN3O — CID 162526776

IUPACN-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccnc2ccc(-c3ccc(N)c(Cl)c3)cc12
InChIInChI=1S/C18H14ClN3O/c1-2-18(23)22-17-7-8-21-16-6-4-11(9-13(16)17)12-3-5-15(20)14(19)10-12/h2-10H,1,20H2,(H,21,22,23)
InChIKeyNWWCYODUPBMHOZ-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.26
Rot. Bonds3

About N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide

N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide (PubChem CID 162526776) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide
PubChem CID162526776
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC NameN-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccnc2ccc(-c3ccc(N)c(Cl)c3)cc12
InChIInChI=1S/C18H14ClN3O/c1-2-18(23)22-17-7-8-21-16-6-4-11(9-13(16)17)12-3-5-15(20)14(19)10-12/h2-10H,1,20H2,(H,21,22,23)
InChIKeyNWWCYODUPBMHOZ-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide?
The IUPAC name of N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide (CID 162526776) is N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide?
The canonical SMILES for N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide is C=CC(=O)Nc1ccnc2ccc(-c3ccc(N)c(Cl)c3)cc12.
What is the InChIKey of N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide?
The InChIKey is NWWCYODUPBMHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-2-18(23)22-17-7-8-21-16-6-4-11(9-13(16)17)12-3-5-15(20)14(19)10-12/h2-10H,1,20H2,(H,21,22,23).
What are the key properties of N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide?
N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]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-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide is sourced from PubChem (CID 162526776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).