2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid

C19H16ClN3O4 — CID 18932750

IUPAC2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid
SMILESCOc1cc2c(N3CCc4ccc(Cl)cc43)ncnc2cc1OCC(=O)O
InChIInChI=1S/C19H16ClN3O4/c1-26-16-7-13-14(8-17(16)27-9-18(24)25)21-10-22-19(13)23-5-4-11-2-3-12(20)6-15(11)23/h2-3,6-8,10H,4-5,9H2,1H3,(H,24,25)
InChIKeyPEBBIRUNJCLIDO-UHFFFAOYSA-N
MW385.81 g/mol
LogP3.45
Rot. Bonds5

About 2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid

2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid (PubChem CID 18932750) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is 2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid
PubChem CID18932750
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid
SMILESCOc1cc2c(N3CCc4ccc(Cl)cc43)ncnc2cc1OCC(=O)O
InChIInChI=1S/C19H16ClN3O4/c1-26-16-7-13-14(8-17(16)27-9-18(24)25)21-10-22-19(13)23-5-4-11-2-3-12(20)6-15(11)23/h2-3,6-8,10H,4-5,9H2,1H3,(H,24,25)
InChIKeyPEBBIRUNJCLIDO-UHFFFAOYSA-N
XLogP3.45
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline
CID 18932856
1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine
CID 54313644
4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline
CID 18932855
4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine
CID 161114097
4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline
CID 67759960
N-[4-(6-chloro-2,3-dihydroindol-1-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide
CID 22122558
6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid
CID 86752367
4-(3,4-dihydro-2H-quinolin-1-yl)-6,7-dimethoxyquinazoline;hydrochloride
CID 18770804
acetic acid;2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 143413817
4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride
CID 18932794
(E)-N-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]but-2-enamide
CID 22122449
ethyl (E)-4-[[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]amino]-4-oxobut-2-enoate
CID 22122424

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid?
The IUPAC name of 2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid (CID 18932750) is 2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid?
The canonical SMILES for 2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid is COc1cc2c(N3CCc4ccc(Cl)cc43)ncnc2cc1OCC(=O)O.
What is the InChIKey of 2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid?
The InChIKey is PEBBIRUNJCLIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-26-16-7-13-14(8-17(16)27-9-18(24)25)21-10-22-19(13)23-5-4-11-2-3-12(20)6-15(11)23/h2-3,6-8,10H,4-5,9H2,1H3,(H,24,25).
What are the key properties of 2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid?
2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid has a molecular weight of 385.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid is sourced from PubChem (CID 18932750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).