N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide

C21H21ClN4O2 — CID 154832626

IUPACN-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide
SMILESCC(Nc1ccc2c(c1)C(C)CC(=O)N2C)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C21H21ClN4O2/c1-12-8-20(27)26(3)19-7-6-15(9-17(12)19)24-13(2)21(28)25-16-5-4-14(11-23)18(22)10-16/h4-7,9-10,12-13,24H,8H2,1-3H3,(H,25,28)
InChIKeyNHSSSEFDZRJRCJ-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.12
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide

N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide (PubChem CID 154832626) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide
PubChem CID154832626
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide
SMILESCC(Nc1ccc2c(c1)C(C)CC(=O)N2C)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C21H21ClN4O2/c1-12-8-20(27)26(3)19-7-6-15(9-17(12)19)24-13(2)21(28)25-16-5-4-14(11-23)18(22)10-16/h4-7,9-10,12-13,24H,8H2,1-3H3,(H,25,28)
InChIKeyNHSSSEFDZRJRCJ-UHFFFAOYSA-N
XLogP4.12
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide (CID 154832626) is N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide is CC(Nc1ccc2c(c1)C(C)CC(=O)N2C)C(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide?
The InChIKey is NHSSSEFDZRJRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-12-8-20(27)26(3)19-7-6-15(9-17(12)19)24-13(2)21(28)25-16-5-4-14(11-23)18(22)10-16/h4-7,9-10,12-13,24H,8H2,1-3H3,(H,25,28).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide?
N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide has a molecular weight of 396.88 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide is sourced from PubChem (CID 154832626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).