(E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide

C22H24N4O2S — CID 42322174

IUPAC(E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide
SMILESCc1cccc2c(N3CCCC3)nc(CNS(=O)(=O)/C=C/c3ccccc3)nc12
InChIInChI=1S/C22H24N4O2S/c1-17-8-7-11-19-21(17)24-20(25-22(19)26-13-5-6-14-26)16-23-29(27,28)15-12-18-9-3-2-4-10-18/h2-4,7-12,15,23H,5-6,13-14,16H2,1H3/b15-12+
InChIKeyFMVQUMANVYYNDP-NTCAYCPXSA-N
MW408.53 g/mol
LogP3.63
Rot. Bonds6

About (E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide

(E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide (PubChem CID 42322174) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is (E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide
PubChem CID42322174
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name(E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide
SMILESCc1cccc2c(N3CCCC3)nc(CNS(=O)(=O)/C=C/c3ccccc3)nc12
InChIInChI=1S/C22H24N4O2S/c1-17-8-7-11-19-21(17)24-20(25-22(19)26-13-5-6-14-26)16-23-29(27,28)15-12-18-9-3-2-4-10-18/h2-4,7-12,15,23H,5-6,13-14,16H2,1H3/b15-12+
InChIKeyFMVQUMANVYYNDP-NTCAYCPXSA-N
XLogP3.63
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide (CID 42322174) is (E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide is Cc1cccc2c(N3CCCC3)nc(CNS(=O)(=O)/C=C/c3ccccc3)nc12.
What is the InChIKey of (E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide?
The InChIKey is FMVQUMANVYYNDP-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-17-8-7-11-19-21(17)24-20(25-22(19)26-13-5-6-14-26)16-23-29(27,28)15-12-18-9-3-2-4-10-18/h2-4,7-12,15,23H,5-6,13-14,16H2,1H3/b15-12+.
What are the key properties of (E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide?
(E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide has a molecular weight of 408.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 42322174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).