4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide

C26H22N4O4 — CID 127024609

IUPAC4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide
SMILESC[C@H]1CCc2cc(-c3nc(C(N)=O)nc4ccccc34)ccc2N1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C26H22N4O4/c1-14-6-7-15-12-16(23-18-4-2-3-5-20(18)28-25(29-23)24(27)33)8-11-21(15)30(14)26(34)19-10-9-17(31)13-22(19)32/h2-5,8-14,31-32H,6-7H2,1H3,(H2,27,33)/t14-/m0/s1
InChIKeyJKSGRMDJMCJGOZ-AWEZNQCLSA-N
MW454.49 g/mol
LogP3.79
Rot. Bonds3

About 4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide

4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide (PubChem CID 127024609) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is 4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide
PubChem CID127024609
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Name4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide
SMILESC[C@H]1CCc2cc(-c3nc(C(N)=O)nc4ccccc34)ccc2N1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C26H22N4O4/c1-14-6-7-15-12-16(23-18-4-2-3-5-20(18)28-25(29-23)24(27)33)8-11-21(15)30(14)26(34)19-10-9-17(31)13-22(19)32/h2-5,8-14,31-32H,6-7H2,1H3,(H2,27,33)/t14-/m0/s1
InChIKeyJKSGRMDJMCJGOZ-AWEZNQCLSA-N
XLogP3.79
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide?
The IUPAC name of 4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide (CID 127024609) is 4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide.
What is the SMILES notation for 4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide?
The canonical SMILES for 4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide is C[C@H]1CCc2cc(-c3nc(C(N)=O)nc4ccccc34)ccc2N1C(=O)c1ccc(O)cc1O.
What is the InChIKey of 4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide?
The InChIKey is JKSGRMDJMCJGOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C26H22N4O4/c1-14-6-7-15-12-16(23-18-4-2-3-5-20(18)28-25(29-23)24(27)33)8-11-21(15)30(14)26(34)19-10-9-17(31)13-22(19)32/h2-5,8-14,31-32H,6-7H2,1H3,(H2,27,33)/t14-/m0/s1.
What are the key properties of 4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide?
4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide is sourced from PubChem (CID 127024609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).