4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide

C26H32N4O3 — CID 143371035

IUPAC4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
SMILESCCc1cc2c(C3CCN(C(=O)Nc4ccc(OCCOC)cc4)CC3)ncnc2cc1C
InChIInChI=1S/C26H32N4O3/c1-4-19-16-23-24(15-18(19)2)27-17-28-25(23)20-9-11-30(12-10-20)26(31)29-21-5-7-22(8-6-21)33-14-13-32-3/h5-8,15-17,20H,4,9-14H2,1-3H3,(H,29,31)
InChIKeySFVURWSMRSZSNN-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.94
Rot. Bonds7

About 4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide

4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 143371035) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
PubChem CID143371035
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
SMILESCCc1cc2c(C3CCN(C(=O)Nc4ccc(OCCOC)cc4)CC3)ncnc2cc1C
InChIInChI=1S/C26H32N4O3/c1-4-19-16-23-24(15-18(19)2)27-17-28-25(23)20-9-11-30(12-10-20)26(31)29-21-5-7-22(8-6-21)33-14-13-32-3/h5-8,15-17,20H,4,9-14H2,1-3H3,(H,29,31)
InChIKeySFVURWSMRSZSNN-UHFFFAOYSA-N
XLogP4.94
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(7-methoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 58770635
4-(6-methoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 58770827
N-(4-ethoxyphenyl)-4-[6-[3-(2-oxopyrrolidin-1-yl)propoxy]quinazolin-4-yl]piperidine-1-carboxamide
CID 143371002
methanol;4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 143371093
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 58770728
ethane;4-[7-(3-methylsulfanyloxypropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 143371591
4-[7-(3-amino-3-methylsulfonylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 174565061
N-(4-morpholin-4-ylphenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperidine-1-carboxamide
CID 143371667
4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 70645287
ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate
CID 143371080
N-(4-morpholin-4-ylphenyl)-4-[7-(3-piperazin-1-ylpropoxy)quinazolin-4-yl]piperidine-1-carboxamide
CID 58770838
N-(4-butoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707356

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide (CID 143371035) is 4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide is CCc1cc2c(C3CCN(C(=O)Nc4ccc(OCCOC)cc4)CC3)ncnc2cc1C.
What is the InChIKey of 4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is SFVURWSMRSZSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-4-19-16-23-24(15-18(19)2)27-17-28-25(23)20-9-11-30(12-10-20)26(31)29-21-5-7-22(8-6-21)33-14-13-32-3/h5-8,15-17,20H,4,9-14H2,1-3H3,(H,29,31).
What are the key properties of 4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide?
4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 143371035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).