N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

C18H15N5O4S — CID 46966768

IUPACN-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(Cn4ccnc4)cc3)ccc2[nH]1
InChIInChI=1S/C18H15N5O4S/c24-17-15-9-14(5-6-16(15)20-18(25)21-17)28(26,27)22-13-3-1-12(2-4-13)10-23-8-7-19-11-23/h1-9,11,22H,10H2,(H2,20,21,24,25)
InChIKeyYUMCTBMIGMUWDS-UHFFFAOYSA-N
MW397.42 g/mol
LogP1.26
Rot. Bonds5

About N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 46966768) has the molecular formula C18H15N5O4S and a molecular weight of 397.42 g/mol. Its IUPAC name is N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID46966768
Molecular FormulaC18H15N5O4S
Molecular Weight397.42 g/mol
Exact Mass397.08
IUPAC NameN-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(Cn4ccnc4)cc3)ccc2[nH]1
InChIInChI=1S/C18H15N5O4S/c24-17-15-9-14(5-6-16(15)20-18(25)21-17)28(26,27)22-13-3-1-12(2-4-13)10-23-8-7-19-11-23/h1-9,11,22H,10H2,(H2,20,21,24,25)
InChIKeyYUMCTBMIGMUWDS-UHFFFAOYSA-N
XLogP1.26
TPSA129.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 91819596
N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 166302689
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55719646
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120825205
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565667
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565668
N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034377
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55914416
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 24818331
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55598485
2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide
CID 55905713

Frequently Asked Questions

What is the IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 46966768) is N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is O=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(Cn4ccnc4)cc3)ccc2[nH]1.
What is the InChIKey of N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is YUMCTBMIGMUWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4S/c24-17-15-9-14(5-6-16(15)20-18(25)21-17)28(26,27)22-13-3-1-12(2-4-13)10-23-8-7-19-11-23/h1-9,11,22H,10H2,(H2,20,21,24,25).
What are the key properties of N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 397.42 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 46966768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).