3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide

C23H20N4O3 — CID 177188397

IUPAC3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide
SMILESC=CC(=O)N1CC(c2ccc(C(N)=O)cc2)C1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C23H20N4O3/c1-2-19(28)27-13-17(14-8-10-16(11-9-14)22(24)29)21(27)23(30)26-18-7-3-5-15-6-4-12-25-20(15)18/h2-12,17,21H,1,13H2,(H2,24,29)(H,26,30)
InChIKeyNFNXFPLJOXPTTD-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.45
Rot. Bonds5

About 3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide

3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide (PubChem CID 177188397) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide.

Molecular Properties

Compound Name3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide
PubChem CID177188397
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide
SMILESC=CC(=O)N1CC(c2ccc(C(N)=O)cc2)C1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C23H20N4O3/c1-2-19(28)27-13-17(14-8-10-16(11-9-14)22(24)29)21(27)23(30)26-18-7-3-5-15-6-4-12-25-20(15)18/h2-12,17,21H,1,13H2,(H2,24,29)(H,26,30)
InChIKeyNFNXFPLJOXPTTD-UHFFFAOYSA-N
XLogP2.45
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,3S)-3-(4-bromophenyl)-2-(quinolin-8-ylcarbamoyl)azetidine-1-carboxylate
CID 176615729
cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 177490344
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
(2R,3S)-3-(4-ethynylphenyl)-N-quinolin-8-ylazetidine-2-carboxamide
CID 176615733
(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 175826709
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
N-quinolin-8-ylpiperidine-2-carboxamide
CID 18071566
3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 135023836
tert-butyl (3R,4S)-3-phenyl-4-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 156839576
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide?
The IUPAC name of 3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide (CID 177188397) is 3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide.
What is the SMILES notation for 3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide?
The canonical SMILES for 3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide is C=CC(=O)N1CC(c2ccc(C(N)=O)cc2)C1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide?
The InChIKey is NFNXFPLJOXPTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-2-19(28)27-13-17(14-8-10-16(11-9-14)22(24)29)21(27)23(30)26-18-7-3-5-15-6-4-12-25-20(15)18/h2-12,17,21H,1,13H2,(H2,24,29)(H,26,30).
What are the key properties of 3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide?
3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylphenyl)-1-prop-2-enoyl-N-quinolin-8-ylazetidine-2-carboxamide is sourced from PubChem (CID 177188397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).