1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine

C15H18N2O — CID 63852262

IUPAC1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine
SMILESc1ccc2c(CNCC3CCOC3)ccnc2c1
InChIInChI=1S/C15H18N2O/c1-2-4-15-14(3-1)13(5-7-17-15)10-16-9-12-6-8-18-11-12/h1-5,7,12,16H,6,8-11H2
InChIKeyBBWSWFINKUCCGC-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.36
Rot. Bonds4

About 1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine

1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine (PubChem CID 63852262) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine
PubChem CID63852262
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine
SMILESc1ccc2c(CNCC3CCOC3)ccnc2c1
InChIInChI=1S/C15H18N2O/c1-2-4-15-14(3-1)13(5-7-17-15)10-16-9-12-6-8-18-11-12/h1-5,7,12,16H,6,8-11H2
InChIKeyBBWSWFINKUCCGC-UHFFFAOYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
3-(quinolin-4-ylmethyl)oxan-4-ol
CID 106471125
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931890
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 45198325
N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine
CID 62577012
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002
N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 82733178
6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol
CID 79781899
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61016275
1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 62748187
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine (CID 63852262) is 1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine is c1ccc2c(CNCC3CCOC3)ccnc2c1.
What is the InChIKey of 1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine?
The InChIKey is BBWSWFINKUCCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-4-15-14(3-1)13(5-7-17-15)10-16-9-12-6-8-18-11-12/h1-5,7,12,16H,6,8-11H2.
What are the key properties of 1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine?
1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine is sourced from PubChem (CID 63852262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).