2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide

C30H38N6O4 — CID 91367110

IUPAC2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)N1CCCCC1c1ncnc2cc(OCCN3CCOCC3)ccc12
InChIInChI=1S/C30H38N6O4/c37-30(33-23-4-6-24(7-5-23)35-14-18-39-19-15-35)36-10-2-1-3-28(36)29-26-9-8-25(21-27(26)31-22-32-29)40-20-13-34-11-16-38-17-12-34/h4-9,21-22,28H,1-3,10-20H2,(H,33,37)
InChIKeyWSQULAMBLNBLFH-UHFFFAOYSA-N
MW546.67 g/mol
LogP3.94
Rot. Bonds7

About 2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide

2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide (PubChem CID 91367110) has the molecular formula C30H38N6O4 and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
PubChem CID91367110
Molecular FormulaC30H38N6O4
Molecular Weight546.67 g/mol
Exact Mass546.30
IUPAC Name2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)N1CCCCC1c1ncnc2cc(OCCN3CCOCC3)ccc12
InChIInChI=1S/C30H38N6O4/c37-30(33-23-4-6-24(7-5-23)35-14-18-39-19-15-35)36-10-2-1-3-28(36)29-26-9-8-25(21-27(26)31-22-32-29)40-20-13-34-11-16-38-17-12-34/h4-9,21-22,28H,1-3,10-20H2,(H,33,37)
InChIKeyWSQULAMBLNBLFH-UHFFFAOYSA-N
XLogP3.94
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.67
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-(4-morpholin-4-ylphenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperidine-1-carboxamide
CID 143371667
methanol;4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 143371093
N-(4-morpholin-4-ylphenyl)-4-[7-(3-piperazin-1-ylpropoxy)quinazolin-4-yl]piperidine-1-carboxamide
CID 58770838
4-[7-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
CID 58770712
N-(4-morpholin-4-ylphenyl)-4-[7-[3-(2-oxopyrrolidin-1-yl)propoxy]quinazolin-4-yl]piperidine-1-carboxamide
CID 58770802
N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide
CID 58770754
4-[7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-[7-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinazolin-4-yl]piperidine-1-carboxamide;4-[7-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 157465493
1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea
CID 50898764
4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
CID 58770752
N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10227162
ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate
CID 143371080
4-[7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
CID 58770830

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of 2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide (CID 91367110) is 2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)N1CCCCC1c1ncnc2cc(OCCN3CCOCC3)ccc12.
What is the InChIKey of 2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide?
The InChIKey is WSQULAMBLNBLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O4/c37-30(33-23-4-6-24(7-5-23)35-14-18-39-19-15-35)36-10-2-1-3-28(36)29-26-9-8-25(21-27(26)31-22-32-29)40-20-13-34-11-16-38-17-12-34/h4-9,21-22,28H,1-3,10-20H2,(H,33,37).
What are the key properties of 2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide?
2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide has a molecular weight of 546.67 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 91367110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).