4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one

C30H38N4O4 — CID 70130915

IUPAC4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one
SMILESCC1(C)CN(CCCOc2cc3c(NCCc4ccccc4)ncnc3cc2OC2CCCC2)CC(=O)O1
InChIInChI=1S/C30H38N4O4/c1-30(2)20-34(19-28(35)38-30)15-8-16-36-26-17-24-25(18-27(26)37-23-11-6-7-12-23)32-21-33-29(24)31-14-13-22-9-4-3-5-10-22/h3-5,9-10,17-18,21,23H,6-8,11-16,19-20H2,1-2H3,(H,31,32,33)
InChIKeyMHUOCLZBONJVEB-UHFFFAOYSA-N
MW518.66 g/mol
LogP5.01
Rot. Bonds11

About 4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one

4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one (PubChem CID 70130915) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is 4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one.

Molecular Properties

Compound Name4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one
PubChem CID70130915
Molecular FormulaC30H38N4O4
Molecular Weight518.66 g/mol
Exact Mass518.29
IUPAC Name4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one
SMILESCC1(C)CN(CCCOc2cc3c(NCCc4ccccc4)ncnc3cc2OC2CCCC2)CC(=O)O1
InChIInChI=1S/C30H38N4O4/c1-30(2)20-34(19-28(35)38-30)15-8-16-36-26-17-24-25(18-27(26)37-23-11-6-7-12-23)32-21-33-29(24)31-14-13-22-9-4-3-5-10-22/h3-5,9-10,17-18,21,23H,6-8,11-16,19-20H2,1-2H3,(H,31,32,33)
InChIKeyMHUOCLZBONJVEB-UHFFFAOYSA-N
XLogP5.01
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-[2-[4-(3-chloro-4-fluoroanilino)-6-cyclobutyloxyquinazolin-7-yl]oxyethyl]-6,6-dimethylmorpholin-2-one
CID 18762834
4-[4-[4-(3-chloro-4-fluoroanilino)-7-cyclopentyloxyquinazolin-6-yl]oxybutyl]-6-methylmorpholin-2-one
CID 18762739
4-[1-[4-(3-chloro-4-fluoroanilino)-6-cyclopentyloxyquinazolin-7-yl]oxypropyl]-6,6-dimethylmorpholin-2-one
CID 57131522
2-[4-[3-[6-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]ethyl dihydrogen phosphate
CID 59268622
7-[7-methoxy-4-[2-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 68728406
4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981896
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856
1-[3-[4-(3-chloro-4-fluoroanilino)-6-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]pyrrolidin-2-one
CID 20819638
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
N-[4-(3-chloro-4-fluoroanilino)-7-[4-(2,2-dimethyl-6-oxomorpholin-4-yl)butylperoxy]quinazolin-6-yl]prop-2-enamide
CID 151978567
4-[3-[4-(3-chloro-4-ethylanilino)-6-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholin-3-one
CID 142811068
1-[4-[4-(3-chloro-2,4-difluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25126087

Frequently Asked Questions

What is the IUPAC name of 4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one?
The IUPAC name of 4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one (CID 70130915) is 4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one.
What is the SMILES notation for 4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one?
The canonical SMILES for 4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one is CC1(C)CN(CCCOc2cc3c(NCCc4ccccc4)ncnc3cc2OC2CCCC2)CC(=O)O1.
What is the InChIKey of 4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one?
The InChIKey is MHUOCLZBONJVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4/c1-30(2)20-34(19-28(35)38-30)15-8-16-36-26-17-24-25(18-27(26)37-23-11-6-7-12-23)32-21-33-29(24)31-14-13-22-9-4-3-5-10-22/h3-5,9-10,17-18,21,23H,6-8,11-16,19-20H2,1-2H3,(H,31,32,33).
What are the key properties of 4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one?
4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one has a molecular weight of 518.66 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[7-cyclopentyloxy-4-(2-phenylethylamino)quinazolin-6-yl]oxypropyl]-6,6-dimethylmorpholin-2-one is sourced from PubChem (CID 70130915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).