3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione

C23H18FN3O3 — CID 118192890

IUPAC3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione
SMILESCc1cc2c(cc1-n1c(=O)[nH]c3ccccc3c1=O)OC(c1ncccc1F)CC2
InChIInChI=1S/C23H18FN3O3/c1-13-11-14-8-9-19(21-16(24)6-4-10-25-21)30-20(14)12-18(13)27-22(28)15-5-2-3-7-17(15)26-23(27)29/h2-7,10-12,19H,8-9H2,1H3,(H,26,29)
InChIKeyPIASSCOEKPWEAK-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.59
Rot. Bonds2

About 3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione

3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione (PubChem CID 118192890) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione
PubChem CID118192890
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione
SMILESCc1cc2c(cc1-n1c(=O)[nH]c3ccccc3c1=O)OC(c1ncccc1F)CC2
InChIInChI=1S/C23H18FN3O3/c1-13-11-14-8-9-19(21-16(24)6-4-10-25-21)30-20(14)12-18(13)27-22(28)15-5-2-3-7-17(15)26-23(27)29/h2-7,10-12,19H,8-9H2,1H3,(H,26,29)
InChIKeyPIASSCOEKPWEAK-UHFFFAOYSA-N
XLogP3.59
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione (CID 118192890) is 3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione is Cc1cc2c(cc1-n1c(=O)[nH]c3ccccc3c1=O)OC(c1ncccc1F)CC2.
What is the InChIKey of 3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione?
The InChIKey is PIASSCOEKPWEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-13-11-14-8-9-19(21-16(24)6-4-10-25-21)30-20(14)12-18(13)27-22(28)15-5-2-3-7-17(15)26-23(27)29/h2-7,10-12,19H,8-9H2,1H3,(H,26,29).
What are the key properties of 3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione?
3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione has a molecular weight of 403.41 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 118192890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).