N-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide

C22H28N4O3S — CID 135931164

IUPACN-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide
SMILESC=c1c(=O)[nH]c2n1Cc1cc(S(=O)CCCC(=O)N(C)C3CCCCC3)ccc1N=2
InChIInChI=1S/C22H28N4O3S/c1-15-21(28)24-22-23-19-11-10-18(13-16(19)14-26(15)22)30(29)12-6-9-20(27)25(2)17-7-4-3-5-8-17/h10-11,13,17H,1,3-9,12,14H2,2H3,(H,23,24,28)
InChIKeySEQQNNDUOKWNRB-UHFFFAOYSA-N
MW428.56 g/mol
LogP1.58
Rot. Bonds6

About N-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide

N-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide (PubChem CID 135931164) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide
PubChem CID135931164
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC NameN-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide
SMILESC=c1c(=O)[nH]c2n1Cc1cc(S(=O)CCCC(=O)N(C)C3CCCCC3)ccc1N=2
InChIInChI=1S/C22H28N4O3S/c1-15-21(28)24-22-23-19-11-10-18(13-16(19)14-26(15)22)30(29)12-6-9-20(27)25(2)17-7-4-3-5-8-17/h10-11,13,17H,1,3-9,12,14H2,2H3,(H,23,24,28)
InChIKeySEQQNNDUOKWNRB-UHFFFAOYSA-N
XLogP1.58
TPSA87.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide (CID 135931164) is N-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide is C=c1c(=O)[nH]c2n1Cc1cc(S(=O)CCCC(=O)N(C)C3CCCCC3)ccc1N=2.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide?
The InChIKey is SEQQNNDUOKWNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-15-21(28)24-22-23-19-11-10-18(13-16(19)14-26(15)22)30(29)12-6-9-20(27)25(2)17-7-4-3-5-8-17/h10-11,13,17H,1,3-9,12,14H2,2H3,(H,23,24,28).
What are the key properties of N-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide?
N-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide has a molecular weight of 428.56 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[(3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-7-yl)sulfinyl]butanamide is sourced from PubChem (CID 135931164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).