N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide

C23H22N4O3S — CID 36827299

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCc1ccc(CN(C)C(=O)CSc2nc3ccccc3c(=O)n2Cc2cccnc2)o1
InChIInChI=1S/C23H22N4O3S/c1-16-9-10-18(30-16)14-26(2)21(28)15-31-23-25-20-8-4-3-7-19(20)22(29)27(23)13-17-6-5-11-24-12-17/h3-12H,13-15H2,1-2H3
InChIKeyBNQYKRAZJIJOEC-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.49
Rot. Bonds7

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 36827299) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID36827299
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCc1ccc(CN(C)C(=O)CSc2nc3ccccc3c(=O)n2Cc2cccnc2)o1
InChIInChI=1S/C23H22N4O3S/c1-16-9-10-18(30-16)14-26(2)21(28)15-31-23-25-20-8-4-3-7-19(20)22(29)27(23)13-17-6-5-11-24-12-17/h3-12H,13-15H2,1-2H3
InChIKeyBNQYKRAZJIJOEC-UHFFFAOYSA-N
XLogP3.49
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide
CID 41487578
N,N-bis(2-methylpropyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 27734504
N-benzyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2531105
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 8017652
methyl 3-methyl-5-[[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate
CID 112820207
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 46607990
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
CID 55468227
2-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 51365215
N-[(3-chlorophenyl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 55391390
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 34646250
2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42402920
2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 33016180

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide (CID 36827299) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide is Cc1ccc(CN(C)C(=O)CSc2nc3ccccc3c(=O)n2Cc2cccnc2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is BNQYKRAZJIJOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-16-9-10-18(30-16)14-26(2)21(28)15-31-23-25-20-8-4-3-7-19(20)22(29)27(23)13-17-6-5-11-24-12-17/h3-12H,13-15H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 434.52 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 36827299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).