N-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide

C25H38N4O2 — CID 46879536

IUPACN-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide
SMILESCNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O
InChIInChI=1S/C25H38N4O2/c1-18(2)19-8-10-21(11-9-19)27-14-12-22(13-15-27)29-23-7-5-4-6-20(23)16-28(25(29)31)17-24(30)26-3/h4-7,18-19,21-22H,8-17H2,1-3H3,(H,26,30)
InChIKeyVAFKCMXVSAMWJK-UHFFFAOYSA-N
MW426.61 g/mol
LogP3.85
Rot. Bonds5

About N-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide

N-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide (PubChem CID 46879536) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide
PubChem CID46879536
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC NameN-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide
SMILESCNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O
InChIInChI=1S/C25H38N4O2/c1-18(2)19-8-10-21(11-9-19)27-14-12-22(13-15-27)29-23-7-5-4-6-20(23)16-28(25(29)31)17-24(30)26-3/h4-7,18-19,21-22H,8-17H2,1-3H3,(H,26,30)
InChIKeyVAFKCMXVSAMWJK-UHFFFAOYSA-N
XLogP3.85
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2s,4r)-2-Methyl-4-(Phenylamino)-6-[4-(Piperidin-1-Ylmethyl)phenyl]-3,4-Dihydroquinolin-1(2h)-Yl]ethanone
CID 68161075
N-[(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
CID 137641357
N-tert-butyl-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 648838
2-(3-(1-((1r,4r)-4-isopropylcyclohexyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
CID 45102745
2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2lambda6,1,3-benzothiadiazin-3-yl]-N-methylacetamide
CID 46879580
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188235
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide
CID 122188236
N-[[(2R)-1-benzyl-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide
CID 122188237
N-[[(3R,4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinolin-3-yl]methyl]propanamide
CID 137631636
N-[(1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
CID 137645887
(1R,5R)-N-(2-ethylphenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide
CID 1768462
(1R,5R)-N-(4-isopropylphenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide
CID 1775377

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide?
The IUPAC name of N-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide (CID 46879536) is N-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide is CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O.
What is the InChIKey of N-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide?
The InChIKey is VAFKCMXVSAMWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-18(2)19-8-10-21(11-9-19)27-14-12-22(13-15-27)29-23-7-5-4-6-20(23)16-28(25(29)31)17-24(30)26-3/h4-7,18-19,21-22H,8-17H2,1-3H3,(H,26,30).
What are the key properties of N-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide?
N-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide has a molecular weight of 426.61 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-quinazolin-3-yl]acetamide is sourced from PubChem (CID 46879536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).