3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

C29H28N6O — CID 137438025

IUPAC3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCN1CCN(CNc2cc3cc(-c4ccc5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)CC1
InChIInChI=1S/C29H28N6O/c1-34-12-14-35(15-13-34)19-31-26-18-23-17-24(21-9-10-25-22(16-21)8-5-11-30-25)27(20-6-3-2-4-7-20)32-28(23)33-29(26)36/h2-11,16-18,31H,12-15,19H2,1H3,(H,32,33,36)
InChIKeyDZKXGERNGKMEAT-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.42
Rot. Bonds5

About 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (PubChem CID 137438025) has the molecular formula C29H28N6O and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
PubChem CID137438025
Molecular FormulaC29H28N6O
Molecular Weight476.58 g/mol
Exact Mass476.23
IUPAC Name3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCN1CCN(CNc2cc3cc(-c4ccc5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)CC1
InChIInChI=1S/C29H28N6O/c1-34-12-14-35(15-13-34)19-31-26-18-23-17-24(21-9-10-25-22(16-21)8-5-11-30-25)27(20-6-3-2-4-7-20)32-28(23)33-29(26)36/h2-11,16-18,31H,12-15,19H2,1H3,(H,32,33,36)
InChIKeyDZKXGERNGKMEAT-UHFFFAOYSA-N
XLogP4.42
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (CID 137438025) is 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is CN1CCN(CNc2cc3cc(-c4ccc5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is DZKXGERNGKMEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O/c1-34-12-14-35(15-13-34)19-31-26-18-23-17-24(21-9-10-25-22(16-21)8-5-11-30-25)27(20-6-3-2-4-7-20)32-28(23)33-29(26)36/h2-11,16-18,31H,12-15,19H2,1H3,(H,32,33,36).
What are the key properties of 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 476.58 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methylamino]-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).