N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide

C20H18ClN3O3 — CID 39851443

IUPACN-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(C(N)=O)cc2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C20H18ClN3O3/c1-11(2)24-10-16(18(25)15-9-13(21)5-8-17(15)24)20(27)23-14-6-3-12(4-7-14)19(22)26/h3-11H,1-2H3,(H2,22,26)(H,23,27)
InChIKeyRDTZDONLKXNNIN-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.59
Rot. Bonds4

About N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide

N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide (PubChem CID 39851443) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide
PubChem CID39851443
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(C(N)=O)cc2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C20H18ClN3O3/c1-11(2)24-10-16(18(25)15-9-13(21)5-8-17(15)24)20(27)23-14-6-3-12(4-7-14)19(22)26/h3-11H,1-2H3,(H2,22,26)(H,23,27)
InChIKeyRDTZDONLKXNNIN-UHFFFAOYSA-N
XLogP3.59
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide (CID 39851443) is N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(C(N)=O)cc2)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The InChIKey is RDTZDONLKXNNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-11(2)24-10-16(18(25)15-9-13(21)5-8-17(15)24)20(27)23-14-6-3-12(4-7-14)19(22)26/h3-11H,1-2H3,(H2,22,26)(H,23,27).
What are the key properties of N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 39851443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).