6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine

C30H30N4O5 — CID 162788053

IUPAC6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine
SMILESCOCCOc1cc2ncnc(Nc3ccc(Oc4cnc5ccccc5c4)c(C)c3)c2cc1OCCOC
InChIInChI=1S/C30H30N4O5/c1-20-14-22(8-9-27(20)39-23-15-21-6-4-5-7-25(21)31-18-23)34-30-24-16-28(37-12-10-35-2)29(38-13-11-36-3)17-26(24)32-19-33-30/h4-9,14-19H,10-13H2,1-3H3,(H,32,33,34)
InChIKeyAXISZZIEGLRBTN-UHFFFAOYSA-N
MW526.59 g/mol
LogP6.07
Rot. Bonds12

About 6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine

6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine (PubChem CID 162788053) has the molecular formula C30H30N4O5 and a molecular weight of 526.59 g/mol. Its IUPAC name is 6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine
PubChem CID162788053
Molecular FormulaC30H30N4O5
Molecular Weight526.59 g/mol
Exact Mass526.22
IUPAC Name6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine
SMILESCOCCOc1cc2ncnc(Nc3ccc(Oc4cnc5ccccc5c4)c(C)c3)c2cc1OCCOC
InChIInChI=1S/C30H30N4O5/c1-20-14-22(8-9-27(20)39-23-15-21-6-4-5-7-25(21)31-18-23)34-30-24-16-28(37-12-10-35-2)29(38-13-11-36-3)17-26(24)32-19-33-30/h4-9,14-19H,10-13H2,1-3H3,(H,32,33,34)
InChIKeyAXISZZIEGLRBTN-UHFFFAOYSA-N
XLogP6.07
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.59
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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CID 3038522
Icotinib
CID 22024915
Taprizosin
CID 6433102
M-475271
CID 5330175
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
CID 5328201
Src Kinase Inhibitor I
CID 1474853

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine (CID 162788053) is 6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine is COCCOc1cc2ncnc(Nc3ccc(Oc4cnc5ccccc5c4)c(C)c3)c2cc1OCCOC.
What is the InChIKey of 6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine?
The InChIKey is AXISZZIEGLRBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O5/c1-20-14-22(8-9-27(20)39-23-15-21-6-4-5-7-25(21)31-18-23)34-30-24-16-28(37-12-10-35-2)29(38-13-11-36-3)17-26(24)32-19-33-30/h4-9,14-19H,10-13H2,1-3H3,(H,32,33,34).
What are the key properties of 6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine?
6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine has a molecular weight of 526.59 g/mol, XLogP of 6.07, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(2-methoxyethoxy)-N-(3-methyl-4-quinolin-3-yloxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 162788053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).