8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine

C24H22FN5O — CID 163272343

IUPAC8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
SMILESCOc1nc2c(cc1Nc1ncc3cccc(-c4ccccc4F)c3n1)CN(C)CC2
InChIInChI=1S/C24H22FN5O/c1-30-11-10-20-16(14-30)12-21(23(27-20)31-2)28-24-26-13-15-6-5-8-18(22(15)29-24)17-7-3-4-9-19(17)25/h3-9,12-13H,10-11,14H2,1-2H3,(H,26,28,29)
InChIKeyOSAKUUMFUAKAQH-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.57
Rot. Bonds4

About 8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine

8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine (PubChem CID 163272343) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine.

Molecular Properties

Compound Name8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
PubChem CID163272343
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
SMILESCOc1nc2c(cc1Nc1ncc3cccc(-c4ccccc4F)c3n1)CN(C)CC2
InChIInChI=1S/C24H22FN5O/c1-30-11-10-20-16(14-30)12-21(23(27-20)31-2)28-24-26-13-15-6-5-8-18(22(15)29-24)17-7-3-4-9-19(17)25/h3-9,12-13H,10-11,14H2,1-2H3,(H,26,28,29)
InChIKeyOSAKUUMFUAKAQH-UHFFFAOYSA-N
XLogP4.57
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
The IUPAC name of 8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine (CID 163272343) is 8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine.
What is the SMILES notation for 8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
The canonical SMILES for 8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine is COc1nc2c(cc1Nc1ncc3cccc(-c4ccccc4F)c3n1)CN(C)CC2.
What is the InChIKey of 8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
The InChIKey is OSAKUUMFUAKAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-30-11-10-20-16(14-30)12-21(23(27-20)31-2)28-24-26-13-15-6-5-8-18(22(15)29-24)17-7-3-4-9-19(17)25/h3-9,12-13H,10-11,14H2,1-2H3,(H,26,28,29).
What are the key properties of 8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine has a molecular weight of 415.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine is sourced from PubChem (CID 163272343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).