N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide

C23H22N4O4 — CID 3798626

IUPACN-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
SMILESCOc1cc(C(=O)N2CCCN2C(=O)Nc2cccc(C(C)=O)c2)nc2ccccc12
InChIInChI=1S/C23H22N4O4/c1-15(28)16-7-5-8-17(13-16)24-23(30)27-12-6-11-26(27)22(29)20-14-21(31-2)18-9-3-4-10-19(18)25-20/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,24,30)
InChIKeyIQNXEZSQRYWQGY-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.74
Rot. Bonds4

About N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide

N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide (PubChem CID 3798626) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
PubChem CID3798626
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
SMILESCOc1cc(C(=O)N2CCCN2C(=O)Nc2cccc(C(C)=O)c2)nc2ccccc12
InChIInChI=1S/C23H22N4O4/c1-15(28)16-7-5-8-17(13-16)24-23(30)27-12-6-11-26(27)22(29)20-14-21(31-2)18-9-3-4-10-19(18)25-20/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,24,30)
InChIKeyIQNXEZSQRYWQGY-UHFFFAOYSA-N
XLogP3.74
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3693938
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 3274641
ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate
CID 4596963
(2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
CID 3669701
(4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone
CID 3835128
1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601
2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone
CID 3724508
1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 3869492
N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
CID 3413008
4-methoxy-2-prop-1-en-2-ylquinoline
CID 119087132
1-(4-methoxyquinolin-2-yl)-3-phenylurea
CID 134098367
N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide
CID 55696947

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide (CID 3798626) is N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide is COc1cc(C(=O)N2CCCN2C(=O)Nc2cccc(C(C)=O)c2)nc2ccccc12.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide?
The InChIKey is IQNXEZSQRYWQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-15(28)16-7-5-8-17(13-16)24-23(30)27-12-6-11-26(27)22(29)20-14-21(31-2)18-9-3-4-10-19(18)25-20/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,24,30).
What are the key properties of N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide?
N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide is sourced from PubChem (CID 3798626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).