4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide

C31H33N5O4 — CID 148696333

IUPAC4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(CC(=O)Cc4cccc(OCCN5CCOCC5)c4)c3)ncnc12
InChIInChI=1S/C31H33N5O4/c32-30(38)27-8-3-9-28-29(27)34-21-35-31(28)33-20-24-6-1-4-22(16-24)17-25(37)18-23-5-2-7-26(19-23)40-15-12-36-10-13-39-14-11-36/h1-9,16,19,21H,10-15,17-18,20H2,(H2,32,38)(H,33,34,35)
InChIKeyNUMHYODVACAETI-UHFFFAOYSA-N
MW539.64 g/mol
LogP3.41
Rot. Bonds12

About 4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 148696333) has the molecular formula C31H33N5O4 and a molecular weight of 539.64 g/mol. Its IUPAC name is 4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID148696333
Molecular FormulaC31H33N5O4
Molecular Weight539.64 g/mol
Exact Mass539.25
IUPAC Name4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(CC(=O)Cc4cccc(OCCN5CCOCC5)c4)c3)ncnc12
InChIInChI=1S/C31H33N5O4/c32-30(38)27-8-3-9-28-29(27)34-21-35-31(28)33-20-24-6-1-4-22(16-24)17-25(37)18-23-5-2-7-26(19-23)40-15-12-36-10-13-39-14-11-36/h1-9,16,19,21H,10-15,17-18,20H2,(H2,32,38)(H,33,34,35)
InChIKeyNUMHYODVACAETI-UHFFFAOYSA-N
XLogP3.41
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.64
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide with MolForge

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Related Compounds

4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide
CID 66763206
4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763033
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
4-[[3-[[3-(3-methoxypropoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763383
2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 131942057
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
4-[[3-[2-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]phenyl]methylamino]quinazoline-8-carboxamide
CID 158687312
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140
3-(4-methylpyrazol-1-yl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626511
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide (CID 148696333) is 4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3cccc(CC(=O)Cc4cccc(OCCN5CCOCC5)c4)c3)ncnc12.
What is the InChIKey of 4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is NUMHYODVACAETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O4/c32-30(38)27-8-3-9-28-29(27)34-21-35-31(28)33-20-24-6-1-4-22(16-24)17-25(37)18-23-5-2-7-26(19-23)40-15-12-36-10-13-39-14-11-36/h1-9,16,19,21H,10-15,17-18,20H2,(H2,32,38)(H,33,34,35).
What are the key properties of 4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 539.64 g/mol, XLogP of 3.41, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-oxopropyl]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 148696333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).