7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione

C23H15ClN4O3 — CID 170772816

IUPAC7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cl)c(-c2ccc3c(=O)n(-c4cncc5cccnc45)c(=O)[nH]c3c2)c1
InChIInChI=1S/C23H15ClN4O3/c1-31-15-5-7-18(24)17(10-15)13-4-6-16-19(9-13)27-23(30)28(22(16)29)20-12-25-11-14-3-2-8-26-21(14)20/h2-12H,1H3,(H,27,30)
InChIKeyHMDZJTDEUTXQCY-UHFFFAOYSA-N
MW430.85 g/mol
LogP3.95
Rot. Bonds3

About 7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione

7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione (PubChem CID 170772816) has the molecular formula C23H15ClN4O3 and a molecular weight of 430.85 g/mol. Its IUPAC name is 7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione
PubChem CID170772816
Molecular FormulaC23H15ClN4O3
Molecular Weight430.85 g/mol
Exact Mass430.08
IUPAC Name7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cl)c(-c2ccc3c(=O)n(-c4cncc5cccnc45)c(=O)[nH]c3c2)c1
InChIInChI=1S/C23H15ClN4O3/c1-31-15-5-7-18(24)17(10-15)13-4-6-16-19(9-13)27-23(30)28(22(16)29)20-12-25-11-14-3-2-8-26-21(14)20/h2-12H,1H3,(H,27,30)
InChIKeyHMDZJTDEUTXQCY-UHFFFAOYSA-N
XLogP3.95
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.85
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione (CID 170772816) is 7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione is COc1ccc(Cl)c(-c2ccc3c(=O)n(-c4cncc5cccnc45)c(=O)[nH]c3c2)c1.
What is the InChIKey of 7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione?
The InChIKey is HMDZJTDEUTXQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O3/c1-31-15-5-7-18(24)17(10-15)13-4-6-16-19(9-13)27-23(30)28(22(16)29)20-12-25-11-14-3-2-8-26-21(14)20/h2-12H,1H3,(H,27,30).
What are the key properties of 7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione?
7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione has a molecular weight of 430.85 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-5-methoxyphenyl)-3-(1,6-naphthyridin-8-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 170772816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).