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

C18H20N4O — CID 113013160

IUPAC1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(N2CCc3ccccc3C2)nc1)NC1CC1
InChIInChI=1S/C18H20N4O/c23-18(20-15-5-6-15)21-16-7-8-17(19-11-16)22-10-9-13-3-1-2-4-14(13)12-22/h1-4,7-8,11,15H,5-6,9-10,12H2,(H2,20,21,23)
InChIKeyCIPPCNPJCPXQSO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.93
Rot. Bonds3

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

1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea (PubChem CID 113013160) 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-1H-isoquinolin-2-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea
PubChem CID113013160
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(N2CCc3ccccc3C2)nc1)NC1CC1
InChIInChI=1S/C18H20N4O/c23-18(20-15-5-6-15)21-16-7-8-17(19-11-16)22-10-9-13-3-1-2-4-14(13)12-22/h1-4,7-8,11,15H,5-6,9-10,12H2,(H2,20,21,23)
InChIKeyCIPPCNPJCPXQSO-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea?
The IUPAC name of 1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea (CID 113013160) is 1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea is O=C(Nc1ccc(N2CCc3ccccc3C2)nc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea?
The InChIKey is CIPPCNPJCPXQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(20-15-5-6-15)21-16-7-8-17(19-11-16)22-10-9-13-3-1-2-4-14(13)12-22/h1-4,7-8,11,15H,5-6,9-10,12H2,(H2,20,21,23).
What are the key properties of 1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea?
1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea has a molecular weight of 308.38 g/mol, XLogP of 2.93, 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-1H-isoquinolin-2-yl)-3-pyridinyl]urea is sourced from PubChem (CID 113013160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).