1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea

C20H20N4O3 — CID 166413301

IUPAC1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea
SMILESC=CC(=O)N1CCCc2cc(C(=O)NNC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C20H20N4O3/c1-2-18(25)24-12-6-7-14-13-15(10-11-17(14)24)19(26)22-23-20(27)21-16-8-4-3-5-9-16/h2-5,8-11,13H,1,6-7,12H2,(H,22,26)(H2,21,23,27)
InChIKeyLMWHDXVFRZHEHC-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.62
Rot. Bonds3

About 1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea

1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea (PubChem CID 166413301) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea
PubChem CID166413301
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea
SMILESC=CC(=O)N1CCCc2cc(C(=O)NNC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C20H20N4O3/c1-2-18(25)24-12-6-7-14-13-15(10-11-17(14)24)19(26)22-23-20(27)21-16-8-4-3-5-9-16/h2-5,8-11,13H,1,6-7,12H2,(H,22,26)(H2,21,23,27)
InChIKeyLMWHDXVFRZHEHC-UHFFFAOYSA-N
XLogP2.62
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-methyl-6-oxopyridine-3-carbonyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbohydrazide
CID 166413315
N-(4-methylsulfinylphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413269
N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413158
N-(2-ethyl-2-phenylbutyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413233
1-prop-2-enoyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413228
N-methyl-N-(2-phenylethyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413225
N-(2,2-dimethyl-1,1-dioxothietan-3-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413254
N-(3-chloro-4-methylsulfonylphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167925841
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413321
tert-butyl 4-(hydroxymethyl)-4-[[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 166420442
N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 154881504
N-[2-(1-methylpyrazol-3-yl)propan-2-yl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413252

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea?
The IUPAC name of 1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea (CID 166413301) is 1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea.
What is the SMILES notation for 1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea?
The canonical SMILES for 1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea is C=CC(=O)N1CCCc2cc(C(=O)NNC(=O)Nc3ccccc3)ccc21.
What is the InChIKey of 1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea?
The InChIKey is LMWHDXVFRZHEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-18(25)24-12-6-7-14-13-15(10-11-17(14)24)19(26)22-23-20(27)21-16-8-4-3-5-9-16/h2-5,8-11,13H,1,6-7,12H2,(H,22,26)(H2,21,23,27).
What are the key properties of 1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea?
1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea has a molecular weight of 364.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea is sourced from PubChem (CID 166413301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).