6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one

C23H28N6O3 — CID 135980565

IUPAC6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(-c3nc4c([nH]3)CN(C(=O)CN3CCN(C)CC3)CC4)cc2c1
InChIInChI=1S/C23H28N6O3/c1-27-7-9-28(10-8-27)14-21(30)29-6-5-19-20(13-29)25-22(24-19)17-12-15-11-16(32-2)3-4-18(15)26-23(17)31/h3-4,11-12H,5-10,13-14H2,1-2H3,(H,24,25)(H,26,31)
InChIKeyMGMQJDRQKSPJAX-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.06
Rot. Bonds4

About 6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one

6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (PubChem CID 135980565) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
PubChem CID135980565
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(-c3nc4c([nH]3)CN(C(=O)CN3CCN(C)CC3)CC4)cc2c1
InChIInChI=1S/C23H28N6O3/c1-27-7-9-28(10-8-27)14-21(30)29-6-5-19-20(13-29)25-22(24-19)17-12-15-11-16(32-2)3-4-18(15)26-23(17)31/h3-4,11-12H,5-10,13-14H2,1-2H3,(H,24,25)(H,26,31)
InChIKeyMGMQJDRQKSPJAX-UHFFFAOYSA-N
XLogP1.06
TPSA97.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980571
(2R)-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(4-methylpiperazin-1-yl)propan-1-one
CID 97435822
3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980545
2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]acetamide
CID 72908659
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one
CID 72895390
1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone
CID 97438500
3-[2-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 72854991
(2S)-2-ethylsulfanyl-1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 97435799
[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone
CID 72931543
1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 164905145
3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile
CID 53174771

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (CID 135980565) is 6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(-c3nc4c([nH]3)CN(C(=O)CN3CCN(C)CC3)CC4)cc2c1.
What is the InChIKey of 6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The InChIKey is MGMQJDRQKSPJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-27-7-9-28(10-8-27)14-21(30)29-6-5-19-20(13-29)25-22(24-19)17-12-15-11-16(32-2)3-4-18(15)26-23(17)31/h3-4,11-12H,5-10,13-14H2,1-2H3,(H,24,25)(H,26,31).
What are the key properties of 6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one has a molecular weight of 436.52 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135980565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).