1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea

C18H20N4O — CID 113016721

IUPAC1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(N2CCCc3ccccc32)nc1)NC1CC1
InChIInChI=1S/C18H20N4O/c23-18(20-14-7-8-14)21-15-9-10-17(19-12-15)22-11-3-5-13-4-1-2-6-16(13)22/h1-2,4,6,9-10,12,14H,3,5,7-8,11H2,(H2,20,21,23)
InChIKeyKLDZWLHXMKZIDK-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.45
Rot. Bonds3

About 1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea

1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea (PubChem CID 113016721) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea
PubChem CID113016721
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(N2CCCc3ccccc32)nc1)NC1CC1
InChIInChI=1S/C18H20N4O/c23-18(20-14-7-8-14)21-15-9-10-17(19-12-15)22-11-3-5-13-4-1-2-6-16(13)22/h1-2,4,6,9-10,12,14H,3,5,7-8,11H2,(H2,20,21,23)
InChIKeyKLDZWLHXMKZIDK-UHFFFAOYSA-N
XLogP3.45
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea
CID 113013160
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113016676
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 113016563
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113016670
[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]hydrazine
CID 82055128
N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide
CID 109287476
N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162476
1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 75461240
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide
CID 113016723
6-(3,4-dihydro-2H-quinolin-1-yl)-N-methylpyridine-3-carboxamide
CID 84570471
1-cyclopropyl-3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]urea
CID 113010170
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea
CID 133149888

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea?
The IUPAC name of 1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea (CID 113016721) is 1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea is O=C(Nc1ccc(N2CCCc3ccccc32)nc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea?
The InChIKey is KLDZWLHXMKZIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(20-14-7-8-14)21-15-9-10-17(19-12-15)22-11-3-5-13-4-1-2-6-16(13)22/h1-2,4,6,9-10,12,14H,3,5,7-8,11H2,(H2,20,21,23).
What are the key properties of 1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea?
1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea has a molecular weight of 308.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea is sourced from PubChem (CID 113016721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).