N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C19H20N4O4 — CID 34454596

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NCC(=O)NCc3ccco3)cnc12
InChIInChI=1S/C19H20N4O4/c1-13-4-2-6-15-18(13)22-12-23(19(15)26)8-7-16(24)21-11-17(25)20-10-14-5-3-9-27-14/h2-6,9,12H,7-8,10-11H2,1H3,(H,20,25)(H,21,24)
InChIKeyYBEJPCGKWZWCNB-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.12
Rot. Bonds7

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 34454596) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID34454596
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NCC(=O)NCc3ccco3)cnc12
InChIInChI=1S/C19H20N4O4/c1-13-4-2-6-15-18(13)22-12-23(19(15)26)8-7-16(24)21-11-17(25)20-10-14-5-3-9-27-14/h2-6,9,12H,7-8,10-11H2,1H3,(H,20,25)(H,21,24)
InChIKeyYBEJPCGKWZWCNB-UHFFFAOYSA-N
XLogP1.12
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46433793
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53073711
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55662614
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39394609
N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 17497766
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647
N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24559975
N-[(2,5-dimethoxyphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 33104099
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446827

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 34454596) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)NCC(=O)NCc3ccco3)cnc12.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is YBEJPCGKWZWCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-13-4-2-6-15-18(13)22-12-23(19(15)26)8-7-16(24)21-11-17(25)20-10-14-5-3-9-27-14/h2-6,9,12H,7-8,10-11H2,1H3,(H,20,25)(H,21,24).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 368.39 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 34454596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).