N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide

C19H16ClN3O — CID 162526824

IUPACN-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Cl)cc(-c2ccc3nccc(NC)c3c2)c1
InChIInChI=1S/C19H16ClN3O/c1-3-19(24)23-15-9-13(8-14(20)11-15)12-4-5-18-16(10-12)17(21-2)6-7-22-18/h3-11H,1H2,2H3,(H,21,22)(H,23,24)
InChIKeyHXRWFZCFDVRCIJ-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.72
Rot. Bonds4

About N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide

N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide (PubChem CID 162526824) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide
PubChem CID162526824
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC NameN-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Cl)cc(-c2ccc3nccc(NC)c3c2)c1
InChIInChI=1S/C19H16ClN3O/c1-3-19(24)23-15-9-13(8-14(20)11-15)12-4-5-18-16(10-12)17(21-2)6-7-22-18/h3-11H,1H2,2H3,(H,21,22)(H,23,24)
InChIKeyHXRWFZCFDVRCIJ-UHFFFAOYSA-N
XLogP4.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide
CID 162526714
N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide
CID 162526776
3-fluoro-N-[6-[3-(prop-2-enoylamino)phenyl]quinolin-4-yl]benzamide
CID 162527103
6-chloro-N-methylquinolin-4-amine
CID 62192062
N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide
CID 162526901
N-[3-(4-amino-3-ethanimidoylphenyl)-5-chlorophenyl]prop-2-enamide
CID 162526973
N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
CID 162527697
N-[6-(4-formylpyrimidin-2-yl)quinolin-4-yl]prop-2-enamide;1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine
CID 162526702
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
4-[[6-(prop-2-enoylamino)quinolin-4-yl]amino]-N-pyridin-2-ylbenzamide
CID 121273423
2-chloro-4-methoxy-N-[6-[3-(prop-2-enoylamino)phenyl]quinazolin-4-yl]benzamide
CID 152692068

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide (CID 162526824) is N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Cl)cc(-c2ccc3nccc(NC)c3c2)c1.
What is the InChIKey of N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide?
The InChIKey is HXRWFZCFDVRCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-3-19(24)23-15-9-13(8-14(20)11-15)12-4-5-18-16(10-12)17(21-2)6-7-22-18/h3-11H,1H2,2H3,(H,21,22)(H,23,24).
What are the key properties of N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide?
N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide has a molecular weight of 337.81 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 162526824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).