3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide

C23H26ClN3O4 — CID 75185701

IUPAC3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCN1C(=O)C2CCCCC2N(Cc2cccc(Cl)c2)C1=O)NCc1ccco1
InChIInChI=1S/C23H26ClN3O4/c24-17-6-3-5-16(13-17)15-27-20-9-2-1-8-19(20)22(29)26(23(27)30)11-10-21(28)25-14-18-7-4-12-31-18/h3-7,12-13,19-20H,1-2,8-11,14-15H2,(H,25,28)
InChIKeyVXUYLWGENYNPJG-UHFFFAOYSA-N
MW443.93 g/mol
LogP3.96
Rot. Bonds7

About 3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide

3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 75185701) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is 3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID75185701
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCN1C(=O)C2CCCCC2N(Cc2cccc(Cl)c2)C1=O)NCc1ccco1
InChIInChI=1S/C23H26ClN3O4/c24-17-6-3-5-16(13-17)15-27-20-9-2-1-8-19(20)22(29)26(23(27)30)11-10-21(28)25-14-18-7-4-12-31-18/h3-7,12-13,19-20H,1-2,8-11,14-15H2,(H,25,28)
InChIKeyVXUYLWGENYNPJG-UHFFFAOYSA-N
XLogP3.96
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide with MolForge

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Related Compounds

3-[1-[(2-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 75185699
N-(furan-2-ylmethyl)-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]pentanamide
CID 75545209
1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 25249201
3-ethyl-1-[(3-methylphenyl)methyl]-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 78411686
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(3-phenoxyphenyl)methyl]propanamide
CID 55688806
2-[4-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 50762522
3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 19542092
(1S,6R)-7-benzyl-7-azabicyclo[4.2.0]octan-8-one
CID 14190975
3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(furan-2-ylmethyl)propanamide
CID 17033680
N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 42814404

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide (CID 75185701) is 3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide is O=C(CCN1C(=O)C2CCCCC2N(Cc2cccc(Cl)c2)C1=O)NCc1ccco1.
What is the InChIKey of 3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is VXUYLWGENYNPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c24-17-6-3-5-16(13-17)15-27-20-9-2-1-8-19(20)22(29)26(23(27)30)11-10-21(28)25-14-18-7-4-12-31-18/h3-7,12-13,19-20H,1-2,8-11,14-15H2,(H,25,28).
What are the key properties of 3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide?
3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 443.93 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 75185701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).