1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea

C19H25N3O3 — CID 110623344

IUPAC1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea
SMILESO=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)NC1CCOCC1
InChIInChI=1S/C19H25N3O3/c23-18(14-3-4-14)22-9-1-2-13-5-6-16(12-17(13)22)21-19(24)20-15-7-10-25-11-8-15/h5-6,12,14-15H,1-4,7-11H2,(H2,20,21,24)
InChIKeyGKKDUQWXCZOUMU-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.68
Rot. Bonds3

About 1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea

1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea (PubChem CID 110623344) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea
PubChem CID110623344
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea
SMILESO=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)NC1CCOCC1
InChIInChI=1S/C19H25N3O3/c23-18(14-3-4-14)22-9-1-2-13-5-6-16(12-17(13)22)21-19(24)20-15-7-10-25-11-8-15/h5-6,12,14-15H,1-4,7-11H2,(H2,20,21,24)
InChIKeyGKKDUQWXCZOUMU-UHFFFAOYSA-N
XLogP2.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]urea
CID 112506054
1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea
CID 110623601
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea
CID 110623289
1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 110748659
5-bromo-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]furan-2-carboxamide
CID 7586241
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-(3-methylphenyl)oxamide
CID 7586652
(2R)-2-amino-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylpentanamide
CID 124646368
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7586576
trans-(1S,3S)-3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391466
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
CID 110623335
3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56762116
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(4-methoxyphenyl)acetamide
CID 7586180

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea (CID 110623344) is 1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea is O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)NC1CCOCC1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea?
The InChIKey is GKKDUQWXCZOUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-18(14-3-4-14)22-9-1-2-13-5-6-16(12-17(13)22)21-19(24)20-15-7-10-25-11-8-15/h5-6,12,14-15H,1-4,7-11H2,(H2,20,21,24).
What are the key properties of 1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea?
1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea has a molecular weight of 343.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 110623344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).