6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine

C27H32N4O3 — CID 71617441

IUPAC6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine
SMILESC#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCN4C(C)COCC4CC)cc23)c1
InChIInChI=1S/C27H32N4O3/c1-5-20-9-7-10-21(13-20)30-27-23-14-26(25(32-4)15-24(23)28-18-29-27)34-12-8-11-31-19(3)16-33-17-22(31)6-2/h1,7,9-10,13-15,18-19,22H,6,8,11-12,16-17H2,2-4H3,(H,28,29,30)
InChIKeyTXOBSGVKFBXJBE-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.63
Rot. Bonds9

About 6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine

6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine (PubChem CID 71617441) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine
PubChem CID71617441
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine
SMILESC#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCN4C(C)COCC4CC)cc23)c1
InChIInChI=1S/C27H32N4O3/c1-5-20-9-7-10-21(13-20)30-27-23-14-26(25(32-4)15-24(23)28-18-29-27)34-12-8-11-31-19(3)16-33-17-22(31)6-2/h1,7,9-10,13-15,18-19,22H,6,8,11-12,16-17H2,2-4H3,(H,28,29,30)
InChIKeyTXOBSGVKFBXJBE-UHFFFAOYSA-N
XLogP4.63
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine with MolForge

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Related Compounds

N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
6-(2-chloroethoxy)-N-(3-ethynylphenyl)-7-propoxyquinazolin-4-amine
CID 154677809
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;silver
CID 175128959
7-[3-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 71617440
N-(3-ethynylphenyl)-7-methoxy-6-[3-(2-nitroimidazol-1-yl)propoxy]quinazolin-4-amine
CID 118721148
7-[4-(3-ethynylanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172517
N-(3-ethynylphenyl)-7-methoxy-6-[1-(2-methoxyethyl)piperidin-4-yl]oxyquinazolin-4-amine
CID 150282536
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine
CID 25235723
4-chloro-6,7-dimethoxyquinazoline;N-(3-ethynylphenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 162132329
7-[3-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 71616032
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
O-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]hydroxylamine
CID 155055619

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine?
The IUPAC name of 6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine (CID 71617441) is 6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine.
What is the SMILES notation for 6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine?
The canonical SMILES for 6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine is C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCN4C(C)COCC4CC)cc23)c1.
What is the InChIKey of 6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine?
The InChIKey is TXOBSGVKFBXJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-5-20-9-7-10-21(13-20)30-27-23-14-26(25(32-4)15-24(23)28-18-29-27)34-12-8-11-31-19(3)16-33-17-22(31)6-2/h1,7,9-10,13-15,18-19,22H,6,8,11-12,16-17H2,2-4H3,(H,28,29,30).
What are the key properties of 6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine?
6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine has a molecular weight of 460.58 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-ethyl-5-methylmorpholin-4-yl)propoxy]-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 71617441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).