(6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate

C62H41Cl2N9O7 — CID 155171020

IUPAC(6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate
SMILESCOc1ccc(CC(=O)Nc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccc(-c5cnc6c(Cl)cc(-c7cc8cc(NC(=O)Oc9ccc(OC)nc9)c(=O)[nH]c8nc7-c7ccccc7)cc6c5)cc4)nc3[nH]c2=O)cc1
InChIInChI=1S/C62H41Cl2N9O7/c1-78-44-16-10-33(11-17-44)21-52(74)68-50-29-41-25-46(38-22-37-9-6-20-65-56(37)48(63)27-38)55(71-58(41)72-60(50)75)36-14-12-34(13-15-36)43-24-40-23-39(28-49(64)57(40)67-31-43)47-26-42-30-51(69-62(77)80-45-18-19-53(79-2)66-32-45)61(76)73-59(42)70-54(47)35-7-4-3-5-8-35/h3-20,22-32H,21H2,1-2H3,(H,68,74)(H,69,77)(H,70,73,76)(H,71,72,75)
InChIKeySIKWBTDOHVJMOA-UHFFFAOYSA-N
MW1094.97 g/mol
LogP13.10
Rot. Bonds12

About (6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate

(6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate (PubChem CID 155171020) has the molecular formula C62H41Cl2N9O7 and a molecular weight of 1094.97 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate
PubChem CID155171020
Molecular FormulaC62H41Cl2N9O7
Molecular Weight1094.97 g/mol
Exact Mass1093.25
IUPAC Name(6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate
SMILESCOc1ccc(CC(=O)Nc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccc(-c5cnc6c(Cl)cc(-c7cc8cc(NC(=O)Oc9ccc(OC)nc9)c(=O)[nH]c8nc7-c7ccccc7)cc6c5)cc4)nc3[nH]c2=O)cc1
InChIInChI=1S/C62H41Cl2N9O7/c1-78-44-16-10-33(11-17-44)21-52(74)68-50-29-41-25-46(38-22-37-9-6-20-65-56(37)48(63)27-38)55(71-58(41)72-60(50)75)36-14-12-34(13-15-36)43-24-40-23-39(28-49(64)57(40)67-31-43)47-26-42-30-51(69-62(77)80-45-18-19-53(79-2)66-32-45)61(76)73-59(42)70-54(47)35-7-4-3-5-8-35/h3-20,22-32H,21H2,1-2H3,(H,68,74)(H,69,77)(H,70,73,76)(H,71,72,75)
InChIKeySIKWBTDOHVJMOA-UHFFFAOYSA-N
XLogP13.10
TPSA216.06 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001094.97
LogP ≤ 513.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze (6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide
CID 158903317
2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile
CID 137438615
[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate
CID 137438648
3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 161103358
N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
CID 137439050
6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137439010
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
CID 155170939
6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438636
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
CID 112989310
6-(8-chloroquinolin-6-yl)-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438467

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate?
The IUPAC name of (6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate (CID 155171020) is (6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate.
What is the SMILES notation for (6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate?
The canonical SMILES for (6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate is COc1ccc(CC(=O)Nc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccc(-c5cnc6c(Cl)cc(-c7cc8cc(NC(=O)Oc9ccc(OC)nc9)c(=O)[nH]c8nc7-c7ccccc7)cc6c5)cc4)nc3[nH]c2=O)cc1.
What is the InChIKey of (6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate?
The InChIKey is SIKWBTDOHVJMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41Cl2N9O7/c1-78-44-16-10-33(11-17-44)21-52(74)68-50-29-41-25-46(38-22-37-9-6-20-65-56(37)48(63)27-38)55(71-58(41)72-60(50)75)36-14-12-34(13-15-36)43-24-40-23-39(28-49(64)57(40)67-31-43)47-26-42-30-51(69-62(77)80-45-18-19-53(79-2)66-32-45)61(76)73-59(42)70-54(47)35-7-4-3-5-8-35/h3-20,22-32H,21H2,1-2H3,(H,68,74)(H,69,77)(H,70,73,76)(H,71,72,75).
What are the key properties of (6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate?
(6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate has a molecular weight of 1094.97 g/mol, XLogP of 13.10, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl) N-[6-[8-chloro-3-[4-[3-(8-chloroquinolin-6-yl)-6-[[2-(4-methoxyphenyl)acetyl]amino]-7-oxo-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 155171020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).