[2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate

C22H31N3O3 — CID 127032709

IUPAC[2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate
SMILESCCCCCCCNC(=O)Oc1ccc2c(c1)CN(C)C(c1ccoc1)N2C
InChIInChI=1S/C22H31N3O3/c1-4-5-6-7-8-12-23-22(26)28-19-9-10-20-18(14-19)15-24(2)21(25(20)3)17-11-13-27-16-17/h9-11,13-14,16,21H,4-8,12,15H2,1-3H3,(H,23,26)
InChIKeySRQSNBAGODSRFW-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.92
Rot. Bonds8

About [2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate

[2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate (PubChem CID 127032709) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is [2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate.

Molecular Properties

Compound Name[2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate
PubChem CID127032709
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name[2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate
SMILESCCCCCCCNC(=O)Oc1ccc2c(c1)CN(C)C(c1ccoc1)N2C
InChIInChI=1S/C22H31N3O3/c1-4-5-6-7-8-12-23-22(26)28-19-9-10-20-18(14-19)15-24(2)21(25(20)3)17-11-13-27-16-17/h9-11,13-14,16,21H,4-8,12,15H2,1-3H3,(H,23,26)
InChIKeySRQSNBAGODSRFW-UHFFFAOYSA-N
XLogP4.92
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate with MolForge

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Related Compounds

3-[1-(Furan-3-ylmethyl)piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one
CID 19423612
N-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinazolin-6-yl)oxy]butanamide
CID 13756663
(1,3-dimethyl-2-phenyl-2,4-dihydroquinazolin-6-yl) N-heptylcarbamate
CID 127031337
(1-methyl-2-phenyl-3-propyl-2,4-dihydroquinazolin-6-yl) N-heptylcarbamate
CID 127032754
[2-(3-methoxyphenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate
CID 127034172
N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 651744
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 3216649
1-(2-{[Cyclohexyl(methyl)amino]methyl}phenyl)-3-[(furan-3-yl)methyl]urea
CID 47038967
(4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-heptylcarbamate
CID 71453074
4-[[4-(2,4-Dioxo-1,3-diazinan-1-yl)-3-methylphenoxy]methyl]benzaldehyde
CID 172465856
N-[[2-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]methyl]-N-methylacetamide
CID 53576860
1-Ethyl-1-(furan-3-ylmethyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 53595954

Frequently Asked Questions

What is the IUPAC name of [2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate?
The IUPAC name of [2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate (CID 127032709) is [2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate.
What is the SMILES notation for [2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate?
The canonical SMILES for [2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate is CCCCCCCNC(=O)Oc1ccc2c(c1)CN(C)C(c1ccoc1)N2C.
What is the InChIKey of [2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate?
The InChIKey is SRQSNBAGODSRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-4-5-6-7-8-12-23-22(26)28-19-9-10-20-18(14-19)15-24(2)21(25(20)3)17-11-13-27-16-17/h9-11,13-14,16,21H,4-8,12,15H2,1-3H3,(H,23,26).
What are the key properties of [2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate?
[2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate has a molecular weight of 385.51 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-3-yl)-1,3-dimethyl-2,4-dihydroquinazolin-6-yl] N-heptylcarbamate is sourced from PubChem (CID 127032709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).