4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline

C28H20ClFN4O — CID 71499170

IUPAC4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline
SMILESCOc1cc(F)ccc1-c1ccc2c(N3CCc4cc(Cl)ccc43)nc(-c3cccnc3)nc2c1
InChIInChI=1S/C28H20ClFN4O/c1-35-26-15-21(30)6-8-22(26)17-4-7-23-24(14-17)32-27(19-3-2-11-31-16-19)33-28(23)34-12-10-18-13-20(29)5-9-25(18)34/h2-9,11,13-16H,10,12H2,1H3
InChIKeyVVPBMEVMWCMPQZ-UHFFFAOYSA-N
MW482.95 g/mol
LogP6.85
Rot. Bonds4

About 4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline

4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline (PubChem CID 71499170) has the molecular formula C28H20ClFN4O and a molecular weight of 482.95 g/mol. Its IUPAC name is 4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline
PubChem CID71499170
Molecular FormulaC28H20ClFN4O
Molecular Weight482.95 g/mol
Exact Mass482.13
IUPAC Name4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline
SMILESCOc1cc(F)ccc1-c1ccc2c(N3CCc4cc(Cl)ccc43)nc(-c3cccnc3)nc2c1
InChIInChI=1S/C28H20ClFN4O/c1-35-26-15-21(30)6-8-22(26)17-4-7-23-24(14-17)32-27(19-3-2-11-31-16-19)33-28(23)34-12-10-18-13-20(29)5-9-25(18)34/h2-9,11,13-16H,10,12H2,1H3
InChIKeyVVPBMEVMWCMPQZ-UHFFFAOYSA-N
XLogP6.85
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.95
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline (CID 71499170) is 4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline is COc1cc(F)ccc1-c1ccc2c(N3CCc4cc(Cl)ccc43)nc(-c3cccnc3)nc2c1.
What is the InChIKey of 4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline?
The InChIKey is VVPBMEVMWCMPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClFN4O/c1-35-26-15-21(30)6-8-22(26)17-4-7-23-24(14-17)32-27(19-3-2-11-31-16-19)33-28(23)34-12-10-18-13-20(29)5-9-25(18)34/h2-9,11,13-16H,10,12H2,1H3.
What are the key properties of 4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline?
4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline has a molecular weight of 482.95 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2,3-dihydroindol-1-yl)-7-(4-fluoro-2-methoxyphenyl)-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 71499170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).