1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide

C19H16ClN3O2 — CID 175779749

IUPAC1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(c2cccnc2)c2cc(Cl)c3cccnc3c2O)CC1
InChIInChI=1S/C19H16ClN3O2/c20-14-9-13(17(24)16-12(14)4-2-8-23-16)15(11-3-1-7-22-10-11)19(5-6-19)18(21)25/h1-4,7-10,15,24H,5-6H2,(H2,21,25)
InChIKeyCGJZUIMMIGJQGG-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.39
Rot. Bonds4

About 1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide

1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide (PubChem CID 175779749) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide
PubChem CID175779749
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(c2cccnc2)c2cc(Cl)c3cccnc3c2O)CC1
InChIInChI=1S/C19H16ClN3O2/c20-14-9-13(17(24)16-12(14)4-2-8-23-16)15(11-3-1-7-22-10-11)19(5-6-19)18(21)25/h1-4,7-10,15,24H,5-6H2,(H2,21,25)
InChIKeyCGJZUIMMIGJQGG-UHFFFAOYSA-N
XLogP3.39
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide (CID 175779749) is 1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide is NC(=O)C1(C(c2cccnc2)c2cc(Cl)c3cccnc3c2O)CC1.
What is the InChIKey of 1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide?
The InChIKey is CGJZUIMMIGJQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-14-9-13(17(24)16-12(14)4-2-8-23-16)15(11-3-1-7-22-10-11)19(5-6-19)18(21)25/h1-4,7-10,15,24H,5-6H2,(H2,21,25).
What are the key properties of 1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide?
1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175779749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).