1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea

C20H15Cl2N7O — CID 142425496

IUPAC1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cnc2cc(Cl)ccc2c1C1CC1
InChIInChI=1S/C20H15Cl2N7O/c21-12-3-4-14-16(7-12)23-10-17(18(14)11-1-2-11)28-20(30)27-13-8-15(22)19(24-9-13)29-25-5-6-26-29/h3-11H,1-2H2,(H2,27,28,30)
InChIKeyAJOKTIDSLVYECO-UHFFFAOYSA-N
MW440.29 g/mol
LogP5.04
Rot. Bonds4

About 1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea

1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea (PubChem CID 142425496) has the molecular formula C20H15Cl2N7O and a molecular weight of 440.29 g/mol. Its IUPAC name is 1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
PubChem CID142425496
Molecular FormulaC20H15Cl2N7O
Molecular Weight440.29 g/mol
Exact Mass439.07
IUPAC Name1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cnc2cc(Cl)ccc2c1C1CC1
InChIInChI=1S/C20H15Cl2N7O/c21-12-3-4-14-16(7-12)23-10-17(18(14)11-1-2-11)28-20(30)27-13-8-15(22)19(24-9-13)29-25-5-6-26-29/h3-11H,1-2H2,(H2,27,28,30)
InChIKeyAJOKTIDSLVYECO-UHFFFAOYSA-N
XLogP5.04
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.29
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea with MolForge

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Related Compounds

1-(6-Bromo-4-methylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 135324862
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-cyclopropyl-6-fluoroquinolin-3-yl)urea
CID 142425477
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-cyclopropyl-7-fluoroquinolin-3-yl)urea
CID 142425482
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-propan-2-ylquinolin-3-yl)urea
CID 142425488
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-methylquinolin-3-yl)urea
CID 142425498
Malt1-IN-8
CID 142425503
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-cyclopentylquinolin-3-yl)urea
CID 142425524
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-cyclopropylquinolin-3-yl)urea
CID 142425530
(2E)-N-[7-[(7-chloroquinolin-4-yl)amino]heptyl]-2-(quinoxalin-2-ylhydrazinylidene)acetamide
CID 44393576
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(2-methoxypropan-2-yl)quinolin-3-yl]urea
CID 162655394
N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1-((7-chloroquinolin-2-yl)methyl)-1H-pyrazole-4-carboxamide
CID 58081168
N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1-((7-chloroquinolin-2-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 58081333

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
The IUPAC name of 1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea (CID 142425496) is 1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea is O=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cnc2cc(Cl)ccc2c1C1CC1.
What is the InChIKey of 1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
The InChIKey is AJOKTIDSLVYECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N7O/c21-12-3-4-14-16(7-12)23-10-17(18(14)11-1-2-11)28-20(30)27-13-8-15(22)19(24-9-13)29-25-5-6-26-29/h3-11H,1-2H2,(H2,27,28,30).
What are the key properties of 1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea has a molecular weight of 440.29 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea is sourced from PubChem (CID 142425496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).