(3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

C20H23N5O — CID 42508304

IUPAC(3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCOc1nc2ccccc2cc1CN[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H23N5O/c1-26-19-16(12-15-6-2-3-8-18(15)24-19)13-23-17-7-4-11-25(14-17)20-21-9-5-10-22-20/h2-3,5-6,8-10,12,17,23H,4,7,11,13-14H2,1H3/t17-/m1/s1
InChIKeyQWICOQHDVNAIEO-QGZVFWFLSA-N
MW349.44 g/mol
LogP2.79
Rot. Bonds5

About (3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

(3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 42508304) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID42508304
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCOc1nc2ccccc2cc1CN[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H23N5O/c1-26-19-16(12-15-6-2-3-8-18(15)24-19)13-23-17-7-4-11-25(14-17)20-21-9-5-10-22-20/h2-3,5-6,8-10,12,17,23H,4,7,11,13-14H2,1H3/t17-/m1/s1
InChIKeyQWICOQHDVNAIEO-QGZVFWFLSA-N
XLogP2.79
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine with MolForge

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045757
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045756
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281135
N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 116501051
(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 93318901
3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline
CID 97155322
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 64540778
[2-propan-2-yloxy-5-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]phenyl]methanol
CID 45224889
[2-propan-2-yloxy-5-[[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]amino]methyl]phenyl]methanol
CID 25460889
(3S)-N-[(4-ethoxy-3-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 124888646
1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 55249277
N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281437

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (CID 42508304) is (3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is COc1nc2ccccc2cc1CN[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is QWICOQHDVNAIEO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O/c1-26-19-16(12-15-6-2-3-8-18(15)24-19)13-23-17-7-4-11-25(14-17)20-21-9-5-10-22-20/h2-3,5-6,8-10,12,17,23H,4,7,11,13-14H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
(3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 349.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 42508304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).