6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine

C30H30N4O6 — CID 162788069

IUPAC6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine
SMILESCOCCOc1cc2ncnc(Nc3ccc(Oc4cccc5cccnc45)c(OC)c3)c2cc1OCCOC
InChIInChI=1S/C30H30N4O6/c1-35-12-14-38-27-17-22-23(18-28(27)39-15-13-36-2)32-19-33-30(22)34-21-9-10-24(26(16-21)37-3)40-25-8-4-6-20-7-5-11-31-29(20)25/h4-11,16-19H,12-15H2,1-3H3,(H,32,33,34)
InChIKeyWYDMKSVXPKQHOW-UHFFFAOYSA-N
MW542.59 g/mol
LogP5.77
Rot. Bonds13

About 6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine

6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine (PubChem CID 162788069) has the molecular formula C30H30N4O6 and a molecular weight of 542.59 g/mol. Its IUPAC name is 6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine
PubChem CID162788069
Molecular FormulaC30H30N4O6
Molecular Weight542.59 g/mol
Exact Mass542.22
IUPAC Name6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine
SMILESCOCCOc1cc2ncnc(Nc3ccc(Oc4cccc5cccnc45)c(OC)c3)c2cc1OCCOC
InChIInChI=1S/C30H30N4O6/c1-35-12-14-38-27-17-22-23(18-28(27)39-15-13-36-2)32-19-33-30(22)34-21-9-10-24(26(16-21)37-3)40-25-8-4-6-20-7-5-11-31-29(20)25/h4-11,16-19H,12-15H2,1-3H3,(H,32,33,34)
InChIKeyWYDMKSVXPKQHOW-UHFFFAOYSA-N
XLogP5.77
TPSA106.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.59
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine with MolForge

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Related Compounds

4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;silver
CID 175128959
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522
6-ethynyl-N-(3-methyl-4-quinolin-8-yloxyphenyl)quinazolin-4-amine
CID 169222963
N-[3-(2-fluoroethynyl)phenyl]-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 71183994
N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine
CID 169222949
O-[2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethyl]hydroxylamine
CID 154688486
O-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]hydroxylamine
CID 155055619
2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol;2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethanol;2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol
CID 157286240
2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol;2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol
CID 87387764

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine (CID 162788069) is 6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine is COCCOc1cc2ncnc(Nc3ccc(Oc4cccc5cccnc45)c(OC)c3)c2cc1OCCOC.
What is the InChIKey of 6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine?
The InChIKey is WYDMKSVXPKQHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O6/c1-35-12-14-38-27-17-22-23(18-28(27)39-15-13-36-2)32-19-33-30(22)34-21-9-10-24(26(16-21)37-3)40-25-8-4-6-20-7-5-11-31-29(20)25/h4-11,16-19H,12-15H2,1-3H3,(H,32,33,34).
What are the key properties of 6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine?
6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine has a molecular weight of 542.59 g/mol, XLogP of 5.77, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 162788069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).