2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride

C16H23ClN4O — CID 137136922

IUPAC2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride
SMILESCNC1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-17-12-5-4-9-20(11-12)10-8-15-18-14-7-3-2-6-13(14)16(21)19-15;/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H,18,19,21);1H
InChIKeyQRLDOSPAIIOZPT-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.57
Rot. Bonds4

About 2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride

2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride (PubChem CID 137136922) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride
PubChem CID137136922
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride
SMILESCNC1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-17-12-5-4-9-20(11-12)10-8-15-18-14-7-3-2-6-13(14)16(21)19-15;/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H,18,19,21);1H
InChIKeyQRLDOSPAIIOZPT-UHFFFAOYSA-N
XLogP1.57
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136895970
2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136733737
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
2-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136563572
N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136696915
N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119918724
2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 137078251
2-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136755534
2-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]-3H-quinazolin-4-one
CID 135587910
(3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
CID 136853798
2-[2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136727620

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride?
The IUPAC name of 2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride (CID 137136922) is 2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride.
What is the SMILES notation for 2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride?
The canonical SMILES for 2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride is CNC1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1.Cl.
What is the InChIKey of 2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride?
The InChIKey is QRLDOSPAIIOZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-17-12-5-4-9-20(11-12)10-8-15-18-14-7-3-2-6-13(14)16(21)19-15;/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H,18,19,21);1H.
What are the key properties of 2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride?
2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride is sourced from PubChem (CID 137136922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).