2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane

C31H44N4O — CID 144986165

IUPAC2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane
SMILESCC.CC.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCCC4)cc23)CC1
InChIInChI=1S/C27H32N4O.2C2H6/c1-32-25-7-3-2-6-22(25)19-12-16-31(17-13-19)27-23-18-21(30-14-4-5-15-30)10-11-24(23)28-26(29-27)20-8-9-20;2*1-2/h2-3,6-7,10-11,18-20H,4-5,8-9,12-17H2,1H3;2*1-2H3
InChIKeyMMKNIPSLNUCYCG-UHFFFAOYSA-N
MW488.72 g/mol
LogP7.55
Rot. Bonds5

About 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane

2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane (PubChem CID 144986165) has the molecular formula C31H44N4O and a molecular weight of 488.72 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane
PubChem CID144986165
Molecular FormulaC31H44N4O
Molecular Weight488.72 g/mol
Exact Mass488.35
IUPAC Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane
SMILESCC.CC.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCCC4)cc23)CC1
InChIInChI=1S/C27H32N4O.2C2H6/c1-32-25-7-3-2-6-22(25)19-12-16-31(17-13-19)27-23-18-21(30-14-4-5-15-30)10-11-24(23)28-26(29-27)20-8-9-20;2*1-2/h2-3,6-7,10-11,18-20H,4-5,8-9,12-17H2,1H3;2*1-2H3
InChIKeyMMKNIPSLNUCYCG-UHFFFAOYSA-N
XLogP7.55
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.72
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 118617781
ethane;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate
CID 144986131
2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde
CID 144986141
2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118617719
(3R)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 130339637
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;ethane;4-(2-methoxyphenyl)piperidine;propane
CID 144986111
[1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol
CID 144986208
2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine
CID 144986231
1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylmethanamine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-2-methoxy-N-methylethanamine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;2-cyclopropyl-6-[(3S)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline
CID 159714332
2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline
CID 134111359
2-(2-cyclopropylethynyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine
CID 118610376
2-[[2-cyclopropyl-4-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118610435

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane?
The IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane (CID 144986165) is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane.
What is the SMILES notation for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane?
The canonical SMILES for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane is CC.CC.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCCC4)cc23)CC1.
What is the InChIKey of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane?
The InChIKey is MMKNIPSLNUCYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O.2C2H6/c1-32-25-7-3-2-6-22(25)19-12-16-31(17-13-19)27-23-18-21(30-14-4-5-15-30)10-11-24(23)28-26(29-27)20-8-9-20;2*1-2/h2-3,6-7,10-11,18-20H,4-5,8-9,12-17H2,1H3;2*1-2H3.
What are the key properties of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane?
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane has a molecular weight of 488.72 g/mol, XLogP of 7.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane is sourced from PubChem (CID 144986165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).