7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline

C17H14ClN3O — CID 170502432

IUPAC7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline
SMILESCOc1ncc(-c2cc(C3CC3)c3ccc(Cl)cc3n2)cn1
InChIInChI=1S/C17H14ClN3O/c1-22-17-19-8-11(9-20-17)15-7-14(10-2-3-10)13-5-4-12(18)6-16(13)21-15/h4-10H,2-3H2,1H3
InChIKeyMZDNZDYWUMSAJD-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.23
Rot. Bonds3

About 7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline

7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline (PubChem CID 170502432) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline.

Molecular Properties

Compound Name7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline
PubChem CID170502432
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline
SMILESCOc1ncc(-c2cc(C3CC3)c3ccc(Cl)cc3n2)cn1
InChIInChI=1S/C17H14ClN3O/c1-22-17-19-8-11(9-20-17)15-7-14(10-2-3-10)13-5-4-12(18)6-16(13)21-15/h4-10H,2-3H2,1H3
InChIKeyMZDNZDYWUMSAJD-UHFFFAOYSA-N
XLogP4.23
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol
CID 170504904
7-chloro-4-methoxy-2-methylquinoline
CID 82581159
4-(3-chloro-4-fluorophenyl)-6-cyclopropyl-2-methoxyquinazolin-7-ol
CID 151080624
4,7-dichloro-2-methoxyquinoline
CID 21101818
azane;4-chlorocyclopropa[b]indole
CID 174412946
2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline
CID 157453660
3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine
CID 162750667
7-chloro-2-cyclopropylquinazoline
CID 172741252
7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline
CID 67842022
4-[4-[(6-chloro-3-methoxyindazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline
CID 152706247
(7-chloro-2-cyclopropylquinazolin-4-yl)hydrazine
CID 106583896
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline?
The IUPAC name of 7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline (CID 170502432) is 7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline.
What is the SMILES notation for 7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline?
The canonical SMILES for 7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline is COc1ncc(-c2cc(C3CC3)c3ccc(Cl)cc3n2)cn1.
What is the InChIKey of 7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline?
The InChIKey is MZDNZDYWUMSAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-22-17-19-8-11(9-20-17)15-7-14(10-2-3-10)13-5-4-12(18)6-16(13)21-15/h4-10H,2-3H2,1H3.
What are the key properties of 7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline?
7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline has a molecular weight of 311.77 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline is sourced from PubChem (CID 170502432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).