1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

C27H33N5O2 — CID 20858416

IUPAC1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCCc1ccc(-n2c(N3CCC(C(N)=O)(N4CCCCC4)CC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H33N5O2/c1-2-20-10-12-21(13-11-20)32-24(33)22-8-4-5-9-23(22)29-26(32)30-18-14-27(15-19-30,25(28)34)31-16-6-3-7-17-31/h4-5,8-13H,2-3,6-7,14-19H2,1H3,(H2,28,34)
InChIKeyYSIISYOZMFLNQS-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.26
Rot. Bonds5

About 1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 20858416) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID20858416
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCCc1ccc(-n2c(N3CCC(C(N)=O)(N4CCCCC4)CC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H33N5O2/c1-2-20-10-12-21(13-11-20)32-24(33)22-8-4-5-9-23(22)29-26(32)30-18-14-27(15-19-30,25(28)34)31-16-6-3-7-17-31/h4-5,8-13H,2-3,6-7,14-19H2,1H3,(H2,28,34)
InChIKeyYSIISYOZMFLNQS-UHFFFAOYSA-N
XLogP3.26
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2605126
4-piperidin-1-yl-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 146040392
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442
3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 24679661
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide
CID 42721825
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2605057
2-[2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide
CID 24522907
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 42722697
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide
CID 42722929
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclopentanecarboxamide
CID 3906979
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27697648
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 20858416) is 1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is CCc1ccc(-n2c(N3CCC(C(N)=O)(N4CCCCC4)CC3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is YSIISYOZMFLNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-2-20-10-12-21(13-11-20)32-24(33)22-8-4-5-9-23(22)29-26(32)30-18-14-27(15-19-30,25(28)34)31-16-6-3-7-17-31/h4-5,8-13H,2-3,6-7,14-19H2,1H3,(H2,28,34).
What are the key properties of 1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 20858416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).