6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one

C24H24N4O4 — CID 175938979

IUPAC6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one
SMILESCOc1cc2c(C(=O)N3CCCCC3)cn(-c3c[nH]c4ccncc34)c(=O)c2cc1OC
InChIInChI=1S/C24H24N4O4/c1-31-21-10-15-16(11-22(21)32-2)24(30)28(20-13-26-19-6-7-25-12-17(19)20)14-18(15)23(29)27-8-4-3-5-9-27/h6-7,10-14,26H,3-5,8-9H2,1-2H3
InChIKeyHVPZPASROBFNQY-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.51
Rot. Bonds4

About 6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one

6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one (PubChem CID 175938979) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one
PubChem CID175938979
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one
SMILESCOc1cc2c(C(=O)N3CCCCC3)cn(-c3c[nH]c4ccncc34)c(=O)c2cc1OC
InChIInChI=1S/C24H24N4O4/c1-31-21-10-15-16(11-22(21)32-2)24(30)28(20-13-26-19-6-7-25-12-17(19)20)14-18(15)23(29)27-8-4-3-5-9-27/h6-7,10-14,26H,3-5,8-9H2,1-2H3
InChIKeyHVPZPASROBFNQY-UHFFFAOYSA-N
XLogP3.51
TPSA89.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-2-(6-methoxy-1H-indol-4-yl)-4-(piperidine-1-carbonyl)isoquinolin-1-one
CID 175938805
2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(pyrrolidine-1-carbonyl)isoquinolin-1-one
CID 4695030
2-(1-cyclopropyl-6-fluoroindol-4-yl)-6,7-dimethoxy-4-(piperidine-1-carbonyl)isoquinolin-1-one
CID 175938937
6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-[1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinolin-7-yl]isoquinolin-1-one
CID 175938801
piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone
CID 66561042
2-[6-fluoro-1-(trideuteriomethyl)indol-4-yl]-4-(piperidine-1-carbonyl)-6,7-bis(trideuteriomethoxy)isoquinolin-1-one
CID 175938853
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
2-ethyl-6,7-dimethoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)isoquinolin-1-one
CID 71565996
2-ethyl-6,7-dimethoxy-4-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]isoquinolin-1-one
CID 71565998
(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626742
2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-methylpiperazin-4-ium-1-carbonyl)isoquinolin-1-one
CID 3287682
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one?
The IUPAC name of 6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one (CID 175938979) is 6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one.
What is the SMILES notation for 6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one?
The canonical SMILES for 6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one is COc1cc2c(C(=O)N3CCCCC3)cn(-c3c[nH]c4ccncc34)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one?
The InChIKey is HVPZPASROBFNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-31-21-10-15-16(11-22(21)32-2)24(30)28(20-13-26-19-6-7-25-12-17(19)20)14-18(15)23(29)27-8-4-3-5-9-27/h6-7,10-14,26H,3-5,8-9H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one?
6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one has a molecular weight of 432.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one is sourced from PubChem (CID 175938979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).