2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine

C28H22ClFN4 — CID 157463181

IUPAC2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2ccc(N3CCCCC3)c3cnccc23)c2cccnc2n1
InChIInChI=1S/C28H22ClFN4/c29-18-6-8-25(30)23(15-18)26-16-22(21-5-4-11-32-28(21)33-26)19-7-9-27(34-13-2-1-3-14-34)24-17-31-12-10-20(19)24/h4-12,15-17H,1-3,13-14H2
InChIKeyVRAOLWMNCWDEDL-UHFFFAOYSA-N
MW468.96 g/mol
LogP7.29
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine (PubChem CID 157463181) has the molecular formula C28H22ClFN4 and a molecular weight of 468.96 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine
PubChem CID157463181
Molecular FormulaC28H22ClFN4
Molecular Weight468.96 g/mol
Exact Mass468.15
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2ccc(N3CCCCC3)c3cnccc23)c2cccnc2n1
InChIInChI=1S/C28H22ClFN4/c29-18-6-8-25(30)23(15-18)26-16-22(21-5-4-11-32-28(21)33-26)19-7-9-27(34-13-2-1-3-14-34)24-17-31-12-10-20(19)24/h4-12,15-17H,1-3,13-14H2
InChIKeyVRAOLWMNCWDEDL-UHFFFAOYSA-N
XLogP7.29
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.96
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Nsc343227
CID 335083
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
Aminoquinazoline, 18
CID 24863671
Aminoisoquinoline, 12b
CID 44473101
Aminoisoquinoline, 13
CID 44473102
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
5-(3-Chloro-phenyl)-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 9842604
2-(3-chlorophenyl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 9880709
N-(3-chlorophenyl)-N-[(7,8-difluoroisoquinolin-4-yl)methyl]pyrimidin-2-amine
CID 25050248
5-(3-Chloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381673
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
CID 51030641
4-(2-chloro-6-methylphenyl)-N-(3-ethylphenyl)-2-(pyridin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54582584

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine (CID 157463181) is 2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine is Fc1ccc(Cl)cc1-c1cc(-c2ccc(N3CCCCC3)c3cnccc23)c2cccnc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine?
The InChIKey is VRAOLWMNCWDEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClFN4/c29-18-6-8-25(30)23(15-18)26-16-22(21-5-4-11-32-28(21)33-26)19-7-9-27(34-13-2-1-3-14-34)24-17-31-12-10-20(19)24/h4-12,15-17H,1-3,13-14H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine has a molecular weight of 468.96 g/mol, XLogP of 7.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine is sourced from PubChem (CID 157463181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).