[2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol

C17H20N2O — CID 64521813

IUPAC[2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol
SMILESOCc1cc(N(CC2CC2)C2CC2)nc2ccccc12
InChIInChI=1S/C17H20N2O/c20-11-13-9-17(18-16-4-2-1-3-15(13)16)19(14-7-8-14)10-12-5-6-12/h1-4,9,12,14,20H,5-8,10-11H2
InChIKeyCCAPGEXWYCHGQN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.11
Rot. Bonds5

About [2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol

[2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol (PubChem CID 64521813) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol
PubChem CID64521813
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol
SMILESOCc1cc(N(CC2CC2)C2CC2)nc2ccccc12
InChIInChI=1S/C17H20N2O/c20-11-13-9-17(18-16-4-2-1-3-15(13)16)19(14-7-8-14)10-12-5-6-12/h1-4,9,12,14,20H,5-8,10-11H2
InChIKeyCCAPGEXWYCHGQN-UHFFFAOYSA-N
XLogP3.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol?
The IUPAC name of [2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol (CID 64521813) is [2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol.
What is the SMILES notation for [2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol?
The canonical SMILES for [2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol is OCc1cc(N(CC2CC2)C2CC2)nc2ccccc12.
What is the InChIKey of [2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol?
The InChIKey is CCAPGEXWYCHGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-11-13-9-17(18-16-4-2-1-3-15(13)16)19(14-7-8-14)10-12-5-6-12/h1-4,9,12,14,20H,5-8,10-11H2.
What are the key properties of [2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol?
[2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol has a molecular weight of 268.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol is sourced from PubChem (CID 64521813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).