2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide

C26H24N6O3S — CID 166810814

IUPAC2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide
SMILESCN1C=C(c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)C=C(S(N)(=O)=O)C1O
InChIInChI=1S/C26H24N6O3S/c1-32-16-18(14-22(26(32)33)36(27,34)35)24-30-21-12-7-11-20(17-8-3-2-4-9-17)23(21)25(31-24)29-15-19-10-5-6-13-28-19/h2-14,16,26,33H,15H2,1H3,(H2,27,34,35)(H,29,30,31)
InChIKeyTXQYUXOHOIHZBP-UHFFFAOYSA-N
MW500.58 g/mol
LogP3.08
Rot. Bonds6

About 2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide

2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide (PubChem CID 166810814) has the molecular formula C26H24N6O3S and a molecular weight of 500.58 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide
PubChem CID166810814
Molecular FormulaC26H24N6O3S
Molecular Weight500.58 g/mol
Exact Mass500.16
IUPAC Name2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide
SMILESCN1C=C(c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)C=C(S(N)(=O)=O)C1O
InChIInChI=1S/C26H24N6O3S/c1-32-16-18(14-22(26(32)33)36(27,34)35)24-30-21-12-7-11-20(17-8-3-2-4-9-17)23(21)25(31-24)29-15-19-10-5-6-13-28-19/h2-14,16,26,33H,15H2,1H3,(H2,27,34,35)(H,29,30,31)
InChIKeyTXQYUXOHOIHZBP-UHFFFAOYSA-N
XLogP3.08
TPSA134.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide
CID 51029627
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide
CID 51030922
[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2,3-dihydropyridin-3-yl]sulfonylamino]phosphonic acid
CID 123268779
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-carbohydrazide
CID 67055923
2-[5-(aminomethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl]methanesulfonamide
CID 159681048
N-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-sulfinamide
CID 139377274
2-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]propanamide
CID 51030081
2-(2-ethynyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 122643344
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide
CID 126518365
2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 139377061
ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide)
CID 159613466
5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde
CID 86670619

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide?
The IUPAC name of 2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide (CID 166810814) is 2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide.
What is the SMILES notation for 2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide?
The canonical SMILES for 2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide is CN1C=C(c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)C=C(S(N)(=O)=O)C1O.
What is the InChIKey of 2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide?
The InChIKey is TXQYUXOHOIHZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3S/c1-32-16-18(14-22(26(32)33)36(27,34)35)24-30-21-12-7-11-20(17-8-3-2-4-9-17)23(21)25(31-24)29-15-19-10-5-6-13-28-19/h2-14,16,26,33H,15H2,1H3,(H2,27,34,35)(H,29,30,31).
What are the key properties of 2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide?
2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide has a molecular weight of 500.58 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide is sourced from PubChem (CID 166810814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).