6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C24H21ClN4 — CID 42644799

IUPAC6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESClc1cccc(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)c1
InChIInChI=1S/C24H21ClN4/c25-20-6-3-4-17(12-20)15-29-11-9-22-19(16-29)8-10-26-24(22)28-21-13-18-5-1-2-7-23(18)27-14-21/h1-8,10,12-14H,9,11,15-16H2,(H,26,28)
InChIKeyDMCKNJVJUKHPNK-UHFFFAOYSA-N
MW400.91 g/mol
LogP5.59
Rot. Bonds4

About 6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 42644799) has the molecular formula C24H21ClN4 and a molecular weight of 400.91 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID42644799
Molecular FormulaC24H21ClN4
Molecular Weight400.91 g/mol
Exact Mass400.15
IUPAC Name6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESClc1cccc(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)c1
InChIInChI=1S/C24H21ClN4/c25-20-6-3-4-17(12-20)15-29-11-9-22-19(16-29)8-10-26-24(22)28-21-13-18-5-1-2-7-23(18)27-14-21/h1-8,10,12-14H,9,11,15-16H2,(H,26,28)
InChIKeyDMCKNJVJUKHPNK-UHFFFAOYSA-N
XLogP5.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 42644799) is 6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is Clc1cccc(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)c1.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is DMCKNJVJUKHPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4/c25-20-6-3-4-17(12-20)15-29-11-9-22-19(16-29)8-10-26-24(22)28-21-13-18-5-1-2-7-23(18)27-14-21/h1-8,10,12-14H,9,11,15-16H2,(H,26,28).
What are the key properties of 6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 400.91 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 42644799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).