ethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate

C19H17N3O2 — CID 45106987

IUPACethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1
InChIInChI=1S/C19H17N3O2/c1-2-24-19(23)17-20-15-9-5-4-8-14(15)18(21-17)22-12-11-13-7-3-6-10-16(13)22/h3-10H,2,11-12H2,1H3
InChIKeyPFQLTHYCMOMCKB-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.50
Rot. Bonds3

About ethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate

ethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate (PubChem CID 45106987) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate
PubChem CID45106987
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Nameethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1
InChIInChI=1S/C19H17N3O2/c1-2-24-19(23)17-20-15-9-5-4-8-14(15)18(21-17)22-12-11-13-7-3-6-10-16(13)22/h3-10H,2,11-12H2,1H3
InChIKeyPFQLTHYCMOMCKB-UHFFFAOYSA-N
XLogP3.50
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate (CID 45106987) is ethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate is CCOC(=O)c1nc(N2CCc3ccccc32)c2ccccc2n1.
What is the InChIKey of ethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate?
The InChIKey is PFQLTHYCMOMCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-2-24-19(23)17-20-15-9-5-4-8-14(15)18(21-17)22-12-11-13-7-3-6-10-16(13)22/h3-10H,2,11-12H2,1H3.
What are the key properties of ethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate?
ethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dihydroindol-1-yl)quinazoline-2-carboxylate is sourced from PubChem (CID 45106987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).