1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid

C24H25N5O6S — CID 135770608

IUPAC1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid
SMILESCCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1-c1nc2cc3nc[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C24H25N5O6S/c1-2-8-35-21-6-5-15(36(33,34)29-7-3-4-14(12-29)24(31)32)9-17(21)22-27-18-11-20-19(25-13-26-20)10-16(18)23(30)28-22/h5-6,9-11,13-14H,2-4,7-8,12H2,1H3,(H,25,26)(H,31,32)(H,27,28,30)
InChIKeyURLODSLLNCKUHY-UHFFFAOYSA-N
MW511.56 g/mol
LogP2.74
Rot. Bonds7

About 1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid

1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid (PubChem CID 135770608) has the molecular formula C24H25N5O6S and a molecular weight of 511.56 g/mol. Its IUPAC name is 1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid
PubChem CID135770608
Molecular FormulaC24H25N5O6S
Molecular Weight511.56 g/mol
Exact Mass511.15
IUPAC Name1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid
SMILESCCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1-c1nc2cc3nc[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C24H25N5O6S/c1-2-8-35-21-6-5-15(36(33,34)29-7-3-4-14(12-29)24(31)32)9-17(21)22-27-18-11-20-19(25-13-26-20)10-16(18)23(30)28-22/h5-6,9-11,13-14H,2-4,7-8,12H2,1H3,(H,25,26)(H,31,32)(H,27,28,30)
InChIKeyURLODSLLNCKUHY-UHFFFAOYSA-N
XLogP2.74
TPSA158.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.56
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

ethyl 1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylate
CID 135506339
1-[3-(6,7-diamino-4-oxo-3H-quinazolin-2-yl)-4-propoxyphenyl]sulfonylpiperidine-4-carboxylic acid
CID 135770588
6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
CID 135967774
6-[5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-2-propoxyphenyl]-1-[(4-fluorophenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one
CID 135770578
2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydropurin-6-one
CID 135430829
3-[1-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]sulfonylpiperidin-4-yl]propanoic acid
CID 135452935
2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3H-quinazolin-4-one
CID 135710760
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidine-3-carboxylic acid
CID 81127690
2-pyrrolidin-1-ylethyl 3-[1-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]sulfonylpiperidin-4-yl]propanoate
CID 142642359
4-ethyl-2-[5-(3-fluoro-4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1H-pyrimidin-6-one
CID 141227583
5-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135565522
1-(4-methyl-3-nitrophenyl)sulfonylpiperidine-3-carboxylic acid
CID 45475685

Frequently Asked Questions

What is the IUPAC name of 1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid (CID 135770608) is 1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid is CCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1-c1nc2cc3nc[nH]c3cc2c(=O)[nH]1.
What is the InChIKey of 1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid?
The InChIKey is URLODSLLNCKUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O6S/c1-2-8-35-21-6-5-15(36(33,34)29-7-3-4-14(12-29)24(31)32)9-17(21)22-27-18-11-20-19(25-13-26-20)10-16(18)23(30)28-22/h5-6,9-11,13-14H,2-4,7-8,12H2,1H3,(H,25,26)(H,31,32)(H,27,28,30).
What are the key properties of 1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid?
1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid has a molecular weight of 511.56 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 135770608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).