N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide

C23H26N4O4 — CID 3194216

IUPACN-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide
SMILESCOc1cc2cc(CN(C(=O)c3cnccn3)C3CCCCC3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C23H26N4O4/c1-30-20-11-15-10-16(22(28)26-18(15)12-21(20)31-2)14-27(17-6-4-3-5-7-17)23(29)19-13-24-8-9-25-19/h8-13,17H,3-7,14H2,1-2H3,(H,26,28)
InChIKeyRFFHUFNQUAOQEE-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.31
Rot. Bonds6

About N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide

N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 3194216) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID3194216
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide
SMILESCOc1cc2cc(CN(C(=O)c3cnccn3)C3CCCCC3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C23H26N4O4/c1-30-20-11-15-10-16(22(28)26-18(15)12-21(20)31-2)14-27(17-6-4-3-5-7-17)23(29)19-13-24-8-9-25-19/h8-13,17H,3-7,14H2,1-2H3,(H,26,28)
InChIKeyRFFHUFNQUAOQEE-UHFFFAOYSA-N
XLogP3.31
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 1149664
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CID 1437355
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CID 1437367
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CID 3188483
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CID 3238710
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide (CID 3194216) is N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide is COc1cc2cc(CN(C(=O)c3cnccn3)C3CCCCC3)c(=O)[nH]c2cc1OC.
What is the InChIKey of N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is RFFHUFNQUAOQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-30-20-11-15-10-16(22(28)26-18(15)12-21(20)31-2)14-27(17-6-4-3-5-7-17)23(29)19-13-24-8-9-25-19/h8-13,17H,3-7,14H2,1-2H3,(H,26,28).
What are the key properties of N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide?
N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3194216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).