N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide

C60H47N9O4 — CID 155170901

IUPACN-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide
SMILESCN1CCN(COc2cc3cc(-c4ccc5ncc(-c6cccc(-c7nc8[nH]c(=O)c(C(=O)NCc9ccccc9)cc8cc7-c7ccc8ncccc8c7)c6)cc5c4)c(-c4ccccc4)nc3[nH]c2=O)CC1
InChIInChI=1S/C60H47N9O4/c1-68-22-24-69(25-23-68)36-73-53-33-46-31-48(54(38-12-6-3-7-13-38)64-57(46)67-60(53)72)41-18-20-52-44(28-41)29-47(35-62-52)39-14-8-15-43(26-39)55-49(40-17-19-51-42(27-40)16-9-21-61-51)30-45-32-50(59(71)66-56(45)65-55)58(70)63-34-37-10-4-2-5-11-37/h2-21,26-33,35H,22-25,34,36H2,1H3,(H,63,70)(H,64,67,72)(H,65,66,71)
InChIKeyWSYKKAQHTVAUJN-UHFFFAOYSA-N
MW958.10 g/mol
LogP10.10
Rot. Bonds11

About N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide

N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 155170901) has the molecular formula C60H47N9O4 and a molecular weight of 958.10 g/mol. Its IUPAC name is N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide
PubChem CID155170901
Molecular FormulaC60H47N9O4
Molecular Weight958.10 g/mol
Exact Mass957.38
IUPAC NameN-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide
SMILESCN1CCN(COc2cc3cc(-c4ccc5ncc(-c6cccc(-c7nc8[nH]c(=O)c(C(=O)NCc9ccccc9)cc8cc7-c7ccc8ncccc8c7)c6)cc5c4)c(-c4ccccc4)nc3[nH]c2=O)CC1
InChIInChI=1S/C60H47N9O4/c1-68-22-24-69(25-23-68)36-73-53-33-46-31-48(54(38-12-6-3-7-13-38)64-57(46)67-60(53)72)41-18-20-52-44(28-41)29-47(35-62-52)39-14-8-15-43(26-39)55-49(40-17-19-51-42(27-40)16-9-21-61-51)30-45-32-50(59(71)66-56(45)65-55)58(70)63-34-37-10-4-2-5-11-37/h2-21,26-33,35H,22-25,34,36H2,1H3,(H,63,70)(H,64,67,72)(H,65,66,71)
InChIKeyWSYKKAQHTVAUJN-UHFFFAOYSA-N
XLogP10.10
TPSA162.09 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.10
LogP ≤ 510.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide
CID 154657440
6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137439010
N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide
CID 137438794
[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate
CID 137438648
3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438814
3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604481
7-(6-oxo-1H-pyridin-2-yl)-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656825
N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide
CID 46389962
3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438827
N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide
CID 59473013
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
CID 118792538

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide (CID 155170901) is N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide is CN1CCN(COc2cc3cc(-c4ccc5ncc(-c6cccc(-c7nc8[nH]c(=O)c(C(=O)NCc9ccccc9)cc8cc7-c7ccc8ncccc8c7)c6)cc5c4)c(-c4ccccc4)nc3[nH]c2=O)CC1.
What is the InChIKey of N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is WSYKKAQHTVAUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N9O4/c1-68-22-24-69(25-23-68)36-73-53-33-46-31-48(54(38-12-6-3-7-13-38)64-57(46)67-60(53)72)41-18-20-52-44(28-41)29-47(35-62-52)39-14-8-15-43(26-39)55-49(40-17-19-51-42(27-40)16-9-21-61-51)30-45-32-50(59(71)66-56(45)65-55)58(70)63-34-37-10-4-2-5-11-37/h2-21,26-33,35H,22-25,34,36H2,1H3,(H,63,70)(H,64,67,72)(H,65,66,71).
What are the key properties of N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide?
N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 958.10 g/mol, XLogP of 10.10, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-[3-[6-[6-[(4-methylpiperazin-1-yl)methoxy]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 155170901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).