1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione

C19H14N2O2 — CID 132821171

IUPAC1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione
SMILESCn1c(=O)n(-c2cccc3ccccc23)c(=O)c2ccccc21
InChIInChI=1S/C19H14N2O2/c1-20-16-11-5-4-10-15(16)18(22)21(19(20)23)17-12-6-8-13-7-2-3-9-14(13)17/h2-12H,1H3
InChIKeyKSZPUCWZWISZAW-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.84
Rot. Bonds1

About 1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione

1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione (PubChem CID 132821171) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione
PubChem CID132821171
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione
SMILESCn1c(=O)n(-c2cccc3ccccc23)c(=O)c2ccccc21
InChIInChI=1S/C19H14N2O2/c1-20-16-11-5-4-10-15(16)18(22)21(19(20)23)17-12-6-8-13-7-2-3-9-14(13)17/h2-12H,1H3
InChIKeyKSZPUCWZWISZAW-UHFFFAOYSA-N
XLogP2.84
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-iodophenyl)-1-methylquinazoline-2,4-dione
CID 58915061
3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione
CID 56697661
7-methyl-10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazole
CID 138662750
3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride
CID 75485502
3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 11266204
1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262294
1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262066
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione
CID 90714195
3-[2,6-difluoro-4-(2-phenylethynyl)phenyl]-1-methylquinazoline-2,4-dione
CID 121482196
5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione
CID 132821169
1-methyl-3-prop-2-enyl-4-sulfanylidenequinazolin-2-one
CID 3031685

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione?
The IUPAC name of 1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione (CID 132821171) is 1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione.
What is the SMILES notation for 1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione?
The canonical SMILES for 1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione is Cn1c(=O)n(-c2cccc3ccccc23)c(=O)c2ccccc21.
What is the InChIKey of 1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione?
The InChIKey is KSZPUCWZWISZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-20-16-11-5-4-10-15(16)18(22)21(19(20)23)17-12-6-8-13-7-2-3-9-14(13)17/h2-12H,1H3.
What are the key properties of 1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione?
1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione is sourced from PubChem (CID 132821171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).