N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide

C23H20N4O4 — CID 39228693

IUPACN-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESCc1cccc2c(=O)n(CC(=O)NCc3cccc(NC(=O)c4ccco4)c3)cnc12
InChIInChI=1S/C23H20N4O4/c1-15-5-2-8-18-21(15)25-14-27(23(18)30)13-20(28)24-12-16-6-3-7-17(11-16)26-22(29)19-9-4-10-31-19/h2-11,14H,12-13H2,1H3,(H,24,28)(H,26,29)
InChIKeyFEQFWTCIRDTJOK-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.87
Rot. Bonds6

About N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide

N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 39228693) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID39228693
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC NameN-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESCc1cccc2c(=O)n(CC(=O)NCc3cccc(NC(=O)c4ccco4)c3)cnc12
InChIInChI=1S/C23H20N4O4/c1-15-5-2-8-18-21(15)25-14-27(23(18)30)13-20(28)24-12-16-6-3-7-17(11-16)26-22(29)19-9-4-10-31-19/h2-11,14H,12-13H2,1H3,(H,24,28)(H,26,29)
InChIKeyFEQFWTCIRDTJOK-UHFFFAOYSA-N
XLogP2.87
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 39502253
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78865625
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55844680
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 27033610
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate
CID 55612647
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51298592
N-(5-acetamido-2-chlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55916729

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide (CID 39228693) is N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide is Cc1cccc2c(=O)n(CC(=O)NCc3cccc(NC(=O)c4ccco4)c3)cnc12.
What is the InChIKey of N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is FEQFWTCIRDTJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-15-5-2-8-18-21(15)25-14-27(23(18)30)13-20(28)24-12-16-6-3-7-17(11-16)26-22(29)19-9-4-10-31-19/h2-11,14H,12-13H2,1H3,(H,24,28)(H,26,29).
What are the key properties of N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 39228693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).