2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one

C19H27N3O2 — CID 136892706

IUPAC2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESCC(C)COC1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C19H27N3O2/c1-13(2)12-24-15-8-10-22(11-9-15)14(3)18-20-17-7-5-4-6-16(17)19(23)21-18/h4-7,13-15H,8-12H2,1-3H3,(H,20,21,23)/t14-/m1/s1
InChIKeyMXTGOSFIXVOCRR-CQSZACIVSA-N
MW329.44 g/mol
LogP3.12
Rot. Bonds5

About 2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one

2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one (PubChem CID 136892706) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
PubChem CID136892706
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESCC(C)COC1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C19H27N3O2/c1-13(2)12-24-15-8-10-22(11-9-15)14(3)18-20-17-7-5-4-6-16(17)19(23)21-18/h4-7,13-15H,8-12H2,1-3H3,(H,20,21,23)/t14-/m1/s1
InChIKeyMXTGOSFIXVOCRR-CQSZACIVSA-N
XLogP3.12
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-1-(4-benzylpiperidin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612926
ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate
CID 135612942
2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 137152274
2-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136912907
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide
CID 135751825
2-[(1R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135954337
2-[(1S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135722471
2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 135612866
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135620653
2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135997912

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one (CID 136892706) is 2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one is CC(C)COC1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
The InChIKey is MXTGOSFIXVOCRR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(2)12-24-15-8-10-22(11-9-15)14(3)18-20-17-7-5-4-6-16(17)19(23)21-18/h4-7,13-15H,8-12H2,1-3H3,(H,20,21,23)/t14-/m1/s1.
What are the key properties of 2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one has a molecular weight of 329.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136892706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).