2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C18H17N3O — CID 135611977

IUPAC2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2cccc3ccccc23)nc2c1CCCC2
InChIInChI=1S/C18H17N3O/c22-17-14-9-3-4-10-16(14)20-18(21-17)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-2,5-8,11H,3-4,9-10H2,(H2,19,20,21,22)
InChIKeyRWJQZYRWUJPPJK-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.55
Rot. Bonds2

About 2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135611977) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135611977
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2cccc3ccccc23)nc2c1CCCC2
InChIInChI=1S/C18H17N3O/c22-17-14-9-3-4-10-16(14)20-18(21-17)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-2,5-8,11H,3-4,9-10H2,(H2,19,20,21,22)
InChIKeyRWJQZYRWUJPPJK-UHFFFAOYSA-N
XLogP3.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135611977) is 2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(Nc2cccc3ccccc23)nc2c1CCCC2.
What is the InChIKey of 2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is RWJQZYRWUJPPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-17-14-9-3-4-10-16(14)20-18(21-17)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-2,5-8,11H,3-4,9-10H2,(H2,19,20,21,22).
What are the key properties of 2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 291.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135611977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).