N-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide

C23H18N4O — CID 174711903

IUPACN-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide
SMILESNc1ccccc1NC(=O)C=Cc1ccc(-c2ccc3cccnc3c2)cn1
InChIInChI=1S/C23H18N4O/c24-20-5-1-2-6-21(20)27-23(28)12-11-19-10-9-18(15-26-19)17-8-7-16-4-3-13-25-22(16)14-17/h1-15H,24H2,(H,27,28)
InChIKeyACJGJTMKCXIVLF-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.53
Rot. Bonds4

About N-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide

N-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide (PubChem CID 174711903) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide
PubChem CID174711903
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide
SMILESNc1ccccc1NC(=O)C=Cc1ccc(-c2ccc3cccnc3c2)cn1
InChIInChI=1S/C23H18N4O/c24-20-5-1-2-6-21(20)27-23(28)12-11-19-10-9-18(15-26-19)17-8-7-16-4-3-13-25-22(16)14-17/h1-15H,24H2,(H,27,28)
InChIKeyACJGJTMKCXIVLF-UHFFFAOYSA-N
XLogP4.53
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
CID 168818983
(E)-N-(2-aminophenyl)-3-[3-[(quinolin-6-ylamino)methyl]phenyl]prop-2-enamide
CID 139368383
N-(2-aminophenyl)-3-[4-[2-oxo-2-(propan-2-ylamino)-1-(quinolin-6-ylamino)ethyl]phenyl]prop-2-enamide
CID 68511126
2-methyl-4-quinolin-7-ylaniline
CID 81223886
(E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide
CID 142065104
2-chloro-5-quinolin-7-ylaniline
CID 81224358
4-quinolin-7-ylbenzoic acid
CID 81224662
5-fluoro-2-quinolin-7-ylaniline
CID 107626733
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586
(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 20786027
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide
CID 73388672

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide?
The IUPAC name of N-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide (CID 174711903) is N-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for N-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide is Nc1ccccc1NC(=O)C=Cc1ccc(-c2ccc3cccnc3c2)cn1.
What is the InChIKey of N-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide?
The InChIKey is ACJGJTMKCXIVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c24-20-5-1-2-6-21(20)27-23(28)12-11-19-10-9-18(15-26-19)17-8-7-16-4-3-13-25-22(16)14-17/h1-15H,24H2,(H,27,28).
What are the key properties of N-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide?
N-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide has a molecular weight of 366.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(5-quinolin-7-yl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 174711903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).