N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide

C22H21N3O3S — CID 17497766

IUPACN-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)N(Cc3ccco3)Cc3cccs3)cnc12
InChIInChI=1S/C22H21N3O3S/c1-16-5-2-8-19-21(16)23-15-24(22(19)27)10-9-20(26)25(13-17-6-3-11-28-17)14-18-7-4-12-29-18/h2-8,11-12,15H,9-10,13-14H2,1H3
InChIKeyXISWDLQJRBFAIZ-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.98
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide

N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 17497766) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID17497766
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)N(Cc3ccco3)Cc3cccs3)cnc12
InChIInChI=1S/C22H21N3O3S/c1-16-5-2-8-19-21(16)23-15-24(22(19)27)10-9-20(26)25(13-17-6-3-11-28-17)14-18-7-4-12-29-18/h2-8,11-12,15H,9-10,13-14H2,1H3
InChIKeyXISWDLQJRBFAIZ-UHFFFAOYSA-N
XLogP3.98
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 24555447
N-benzyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 37428295
N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 134032634
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 34454596
N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid
CID 119204774
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46433793
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 43035945
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770445

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 17497766) is N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide is Cc1cccc2c(=O)n(CCC(=O)N(Cc3ccco3)Cc3cccs3)cnc12.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is XISWDLQJRBFAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-16-5-2-8-19-21(16)23-15-24(22(19)27)10-9-20(26)25(13-17-6-3-11-28-17)14-18-7-4-12-29-18/h2-8,11-12,15H,9-10,13-14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 407.50 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 17497766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).