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

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

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Related Compounds

2-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-7-yl]-3-fluorophenol
CID 163899903
2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine
CID 44532960
2-(2-methoxyphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]quinazolin-4-amine
CID 60167795
3-[3-[4-(4-Fluorophenyl)pyrimidin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline
CID 118707953
4-[4-[4,6-Bis(4-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]-7-chloroquinoline
CID 164628255
6-Chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline
CID 58547221
US11780845, Example 1412
CID 155308882
US11780845, Example 1379
CID 155310029
7-[[3-(4-Amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methoxy]-2-methylquinolin-4-amine
CID 156304115
7-[[3-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluorophenyl]methoxy]-N-methylquinolin-2-amine
CID 156304131
US11845723, Example 633
CID 156536853
US11845723, Example 444
CID 156537138

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).