1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea

C19H25N3O3 — CID 110609150

IUPAC1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea
SMILESCc1cc(C)c2cc(CCNC(=O)NC3CCOCC3)c(=O)[nH]c2c1
InChIInChI=1S/C19H25N3O3/c1-12-9-13(2)16-11-14(18(23)22-17(16)10-12)3-6-20-19(24)21-15-4-7-25-8-5-15/h9-11,15H,3-8H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyHXKMTIYXAQBRNV-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.17
Rot. Bonds4

About 1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea

1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea (PubChem CID 110609150) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea
PubChem CID110609150
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea
SMILESCc1cc(C)c2cc(CCNC(=O)NC3CCOCC3)c(=O)[nH]c2c1
InChIInChI=1S/C19H25N3O3/c1-12-9-13(2)16-11-14(18(23)22-17(16)10-12)3-6-20-19(24)21-15-4-7-25-8-5-15/h9-11,15H,3-8H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyHXKMTIYXAQBRNV-UHFFFAOYSA-N
XLogP2.17
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110326400
3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110415464
1-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea
CID 110609264
1-[(3-chlorophenyl)methyl]-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110414049
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110616824
3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725
2-(dimethylamino)-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylacetamide
CID 110609132
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 110415422
3-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 1138170
1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110325752
3-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 1133807
3-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1133934

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea (CID 110609150) is 1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea is Cc1cc(C)c2cc(CCNC(=O)NC3CCOCC3)c(=O)[nH]c2c1.
What is the InChIKey of 1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea?
The InChIKey is HXKMTIYXAQBRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-9-13(2)16-11-14(18(23)22-17(16)10-12)3-6-20-19(24)21-15-4-7-25-8-5-15/h9-11,15H,3-8H2,1-2H3,(H,22,23)(H2,20,21,24).
What are the key properties of 1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea?
1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea has a molecular weight of 343.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 110609150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).