N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine

C16H22N4 — CID 63854555

IUPACN-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine
SMILESCNC(C)C1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C16H22N4/c1-12(17-2)13-6-5-9-20(10-13)16-14-7-3-4-8-15(14)18-11-19-16/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3
InChIKeyYDMKMKAOLRINIX-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.45
Rot. Bonds3

About N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine

N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine (PubChem CID 63854555) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine
PubChem CID63854555
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine
SMILESCNC(C)C1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C16H22N4/c1-12(17-2)13-6-5-9-20(10-13)16-14-7-3-4-8-15(14)18-11-19-16/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3
InChIKeyYDMKMKAOLRINIX-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide
CID 175650317
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
N-methyl-1-(1-pyridin-2-ylpiperidin-3-yl)ethanamine
CID 63853005
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 154829981
N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine
CID 141430975
N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide
CID 168791226
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine (CID 63854555) is N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine is CNC(C)C1CCCN(c2ncnc3ccccc23)C1.
What is the InChIKey of N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine?
The InChIKey is YDMKMKAOLRINIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(17-2)13-6-5-9-20(10-13)16-14-7-3-4-8-15(14)18-11-19-16/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3.
What are the key properties of N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine?
N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 63854555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).