1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C24H26N4O4 — CID 127024768

IUPAC1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC1CCc2cc(C(=O)N(C)Cc3cnn(C)c3)ccc2N1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C24H26N4O4/c1-15-4-5-17-10-18(23(31)26(2)13-16-12-25-27(3)14-16)6-9-21(17)28(15)24(32)20-8-7-19(29)11-22(20)30/h6-12,14-15,29-30H,4-5,13H2,1-3H3
InChIKeyZVFIHSAIQWKOAE-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.09
Rot. Bonds4

About 1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 127024768) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID127024768
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC1CCc2cc(C(=O)N(C)Cc3cnn(C)c3)ccc2N1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C24H26N4O4/c1-15-4-5-17-10-18(23(31)26(2)13-16-12-25-27(3)14-16)6-9-21(17)28(15)24(32)20-8-7-19(29)11-22(20)30/h6-12,14-15,29-30H,4-5,13H2,1-3H3
InChIKeyZVFIHSAIQWKOAE-UHFFFAOYSA-N
XLogP3.09
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 127024768) is 1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is CC1CCc2cc(C(=O)N(C)Cc3cnn(C)c3)ccc2N1C(=O)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is ZVFIHSAIQWKOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-15-4-5-17-10-18(23(31)26(2)13-16-12-25-27(3)14-16)6-9-21(17)28(15)24(32)20-8-7-19(29)11-22(20)30/h6-12,14-15,29-30H,4-5,13H2,1-3H3.
What are the key properties of 1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 127024768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).