N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine

C18H26N4O — CID 171359305

IUPACN-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine
SMILESCOCCN1CCC[C@H](CNc2nc(C)nc3ccccc23)C1
InChIInChI=1S/C18H26N4O/c1-14-20-17-8-4-3-7-16(17)18(21-14)19-12-15-6-5-9-22(13-15)10-11-23-2/h3-4,7-8,15H,5-6,9-13H2,1-2H3,(H,19,20,21)/t15-/m1/s1
InChIKeyNSMYHLIFBBQGJE-OAHLLOKOSA-N
MW314.43 g/mol
LogP2.71
Rot. Bonds6

About N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine

N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine (PubChem CID 171359305) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine
PubChem CID171359305
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine
SMILESCOCCN1CCC[C@H](CNc2nc(C)nc3ccccc23)C1
InChIInChI=1S/C18H26N4O/c1-14-20-17-8-4-3-7-16(17)18(21-14)19-12-15-6-5-9-22(13-15)10-11-23-2/h3-4,7-8,15H,5-6,9-13H2,1-2H3,(H,19,20,21)/t15-/m1/s1
InChIKeyNSMYHLIFBBQGJE-OAHLLOKOSA-N
XLogP2.71
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
CID 62475651
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95874316
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 45251405
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
CID 80789448
2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine
CID 62477691
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025
2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 166615660
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
CID 63869094
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80775529
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine
CID 106028358

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine?
The IUPAC name of N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine (CID 171359305) is N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine?
The canonical SMILES for N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine is COCCN1CCC[C@H](CNc2nc(C)nc3ccccc23)C1.
What is the InChIKey of N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine?
The InChIKey is NSMYHLIFBBQGJE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-20-17-8-4-3-7-16(17)18(21-14)19-12-15-6-5-9-22(13-15)10-11-23-2/h3-4,7-8,15H,5-6,9-13H2,1-2H3,(H,19,20,21)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine?
N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine has a molecular weight of 314.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine is sourced from PubChem (CID 171359305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).