1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione

C25H24N2O2 — CID 73370442

IUPAC1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
SMILESO=C1C2CCCCC2N(Cc2cccc3ccccc23)C(=O)N1c1ccccc1
InChIInChI=1S/C25H24N2O2/c28-24-22-15-6-7-16-23(22)26(25(29)27(24)20-12-2-1-3-13-20)17-19-11-8-10-18-9-4-5-14-21(18)19/h1-5,8-14,22-23H,6-7,15-17H2
InChIKeyMQNGNSKEHABSKD-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.37
Rot. Bonds3

About 1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione

1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione (PubChem CID 73370442) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
PubChem CID73370442
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
SMILESO=C1C2CCCCC2N(Cc2cccc3ccccc23)C(=O)N1c1ccccc1
InChIInChI=1S/C25H24N2O2/c28-24-22-15-6-7-16-23(22)26(25(29)27(24)20-12-2-1-3-13-20)17-19-11-8-10-18-9-4-5-14-21(18)19/h1-5,8-14,22-23H,6-7,15-17H2
InChIKeyMQNGNSKEHABSKD-UHFFFAOYSA-N
XLogP5.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione with MolForge

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Related Compounds

(4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione
CID 10853143
2-[4-[1-[(2-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]-N-cyclohexylacetamide
CID 75545038
6-bromo-1-[(2-chlorophenyl)methyl]-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 73371632
N-benzyl-2-[3-(4-fluorophenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide
CID 78418497
(1S,6R)-7-benzyl-7-azabicyclo[4.2.0]octan-8-one
CID 14190975
2-bromo-1,3-bis(naphthalen-1-ylmethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole 2-oxide
CID 123254446
6-bromo-1-[(4-methylphenyl)methyl]-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 73371635
(4aS,8aS)-3-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 91738144
N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide
CID 74824642
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584
2-[2-[5-(naphthalen-1-ylmethyl)-4-oxo-2,3,3a,10a-tetrahydro-1H-cyclopenta[b][1,5]benzodiazepin-10-yl]-2-oxoethyl]isoindole-1,3-dione
CID 67779890
5-cyclopropyl-2-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-one
CID 90542420

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione (CID 73370442) is 1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione is O=C1C2CCCCC2N(Cc2cccc3ccccc23)C(=O)N1c1ccccc1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione?
The InChIKey is MQNGNSKEHABSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-24-22-15-6-7-16-23(22)26(25(29)27(24)20-12-2-1-3-13-20)17-19-11-8-10-18-9-4-5-14-21(18)19/h1-5,8-14,22-23H,6-7,15-17H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione?
1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione has a molecular weight of 384.48 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione is sourced from PubChem (CID 73370442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).