2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine

C19H27N3O — CID 97068037

IUPAC2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine
SMILESCc1cc(NC[C@H]2CN(CC(C)C)CCO2)c2ccccc2n1
InChIInChI=1S/C19H27N3O/c1-14(2)12-22-8-9-23-16(13-22)11-20-19-10-15(3)21-18-7-5-4-6-17(18)19/h4-7,10,14,16H,8-9,11-13H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyQPKVIKYGULQWMM-INIZCTEOSA-N
MW313.44 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine

2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine (PubChem CID 97068037) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine
PubChem CID97068037
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine
SMILESCc1cc(NC[C@H]2CN(CC(C)C)CCO2)c2ccccc2n1
InChIInChI=1S/C19H27N3O/c1-14(2)12-22-8-9-23-16(13-22)11-20-19-10-15(3)21-18-7-5-4-6-17(18)19/h4-7,10,14,16H,8-9,11-13H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyQPKVIKYGULQWMM-INIZCTEOSA-N
XLogP3.31
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine?
The IUPAC name of 2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine (CID 97068037) is 2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine?
The canonical SMILES for 2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine is Cc1cc(NC[C@H]2CN(CC(C)C)CCO2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine?
The InChIKey is QPKVIKYGULQWMM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14(2)12-22-8-9-23-16(13-22)11-20-19-10-15(3)21-18-7-5-4-6-17(18)19/h4-7,10,14,16H,8-9,11-13H2,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine?
2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine has a molecular weight of 313.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 97068037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).