N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide

C27H24N4O3S — CID 3100933

IUPACN,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)c(C=Cc1nc3ccccc3c(=O)n1-c1ccccc1)cn2C
InChIInChI=1S/C27H24N4O3S/c1-29(2)35(33,34)21-14-15-25-23(17-21)19(18-30(25)3)13-16-26-28-24-12-8-7-11-22(24)27(32)31(26)20-9-5-4-6-10-20/h4-18H,1-3H3
InChIKeyIVCRNUIHGOKHOG-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.30
Rot. Bonds5

About N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide

N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide (PubChem CID 3100933) has the molecular formula C27H24N4O3S and a molecular weight of 484.58 g/mol. Its IUPAC name is N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide.

Molecular Properties

Compound NameN,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide
PubChem CID3100933
Molecular FormulaC27H24N4O3S
Molecular Weight484.58 g/mol
Exact Mass484.16
IUPAC NameN,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)c(C=Cc1nc3ccccc3c(=O)n1-c1ccccc1)cn2C
InChIInChI=1S/C27H24N4O3S/c1-29(2)35(33,34)21-14-15-25-23(17-21)19(18-30(25)3)13-16-26-28-24-12-8-7-11-22(24)27(32)31(26)20-9-5-4-6-10-20/h4-18H,1-3H3
InChIKeyIVCRNUIHGOKHOG-UHFFFAOYSA-N
XLogP4.30
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 92912507
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 3090604
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
3-[3-[2-[3-(3-nitrophenyl)-4-oxoquinazolin-2-yl]ethenyl]indol-1-yl]propanenitrile
CID 3927697
3-(3-chlorophenyl)-2-[2-(2-chlorophenyl)ethenyl]quinazolin-4-one
CID 2965083
3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
CID 3700273
2-[(E)-2-naphthalen-1-ylethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 5366941
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 92967429

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide?
The IUPAC name of N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide (CID 3100933) is N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide.
What is the SMILES notation for N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide?
The canonical SMILES for N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)c(C=Cc1nc3ccccc3c(=O)n1-c1ccccc1)cn2C.
What is the InChIKey of N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide?
The InChIKey is IVCRNUIHGOKHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3S/c1-29(2)35(33,34)21-14-15-25-23(17-21)19(18-30(25)3)13-16-26-28-24-12-8-7-11-22(24)27(32)31(26)20-9-5-4-6-10-20/h4-18H,1-3H3.
What are the key properties of N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide?
N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide has a molecular weight of 484.58 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)ethenyl]indole-5-sulfonamide is sourced from PubChem (CID 3100933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).