4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline

C30H31N3O4 — CID 164615090

IUPAC4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline
SMILESCCn1c(-c2ccccc2)c(-c2ncnc3cc(OCCOC)c(OCCOC)cc23)c2ccccc21
InChIInChI=1S/C30H31N3O4/c1-4-33-25-13-9-8-12-22(25)28(30(33)21-10-6-5-7-11-21)29-23-18-26(36-16-14-34-2)27(37-17-15-35-3)19-24(23)31-20-32-29/h5-13,18-20H,4,14-17H2,1-3H3
InChIKeyKGIHLBBEIMLPKZ-UHFFFAOYSA-N
MW497.60 g/mol
LogP5.99
Rot. Bonds11

About 4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline

4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline (PubChem CID 164615090) has the molecular formula C30H31N3O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is 4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline.

Molecular Properties

Compound Name4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline
PubChem CID164615090
Molecular FormulaC30H31N3O4
Molecular Weight497.60 g/mol
Exact Mass497.23
IUPAC Name4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline
SMILESCCn1c(-c2ccccc2)c(-c2ncnc3cc(OCCOC)c(OCCOC)cc23)c2ccccc21
InChIInChI=1S/C30H31N3O4/c1-4-33-25-13-9-8-12-22(25)28(30(33)21-10-6-5-7-11-21)29-23-18-26(36-16-14-34-2)27(37-17-15-35-3)19-24(23)31-20-32-29/h5-13,18-20H,4,14-17H2,1-3H3
InChIKeyKGIHLBBEIMLPKZ-UHFFFAOYSA-N
XLogP5.99
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline?
The IUPAC name of 4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline (CID 164615090) is 4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline.
What is the SMILES notation for 4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline?
The canonical SMILES for 4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline is CCn1c(-c2ccccc2)c(-c2ncnc3cc(OCCOC)c(OCCOC)cc23)c2ccccc21.
What is the InChIKey of 4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline?
The InChIKey is KGIHLBBEIMLPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4/c1-4-33-25-13-9-8-12-22(25)28(30(33)21-10-6-5-7-11-21)29-23-18-26(36-16-14-34-2)27(37-17-15-35-3)19-24(23)31-20-32-29/h5-13,18-20H,4,14-17H2,1-3H3.
What are the key properties of 4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline?
4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline has a molecular weight of 497.60 g/mol, XLogP of 5.99, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-2-phenylindol-3-yl)-6,7-bis(2-methoxyethoxy)quinazoline is sourced from PubChem (CID 164615090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).