N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine

C31H33N5O2 — CID 163286288

IUPACN,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4nc(-c5ccccc5)n(C5CCOCC5)c4c3c2)cn1
InChIInChI=1S/C31H33N5O2/c1-35(2)15-6-16-38-29-12-10-24(20-33-29)23-9-11-27-26(19-23)30-28(21-32-27)34-31(22-7-4-3-5-8-22)36(30)25-13-17-37-18-14-25/h3-5,7-12,19-21,25H,6,13-18H2,1-2H3
InChIKeyDWIQDGLFGFOYDK-UHFFFAOYSA-N
MW507.64 g/mol
LogP6.00
Rot. Bonds8

About N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine

N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine (PubChem CID 163286288) has the molecular formula C31H33N5O2 and a molecular weight of 507.64 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine
PubChem CID163286288
Molecular FormulaC31H33N5O2
Molecular Weight507.64 g/mol
Exact Mass507.26
IUPAC NameN,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4nc(-c5ccccc5)n(C5CCOCC5)c4c3c2)cn1
InChIInChI=1S/C31H33N5O2/c1-35(2)15-6-16-38-29-12-10-24(20-33-29)23-9-11-27-26(19-23)30-28(21-32-27)34-31(22-7-4-3-5-8-22)36(30)25-13-17-37-18-14-25/h3-5,7-12,19-21,25H,6,13-18H2,1-2H3
InChIKeyDWIQDGLFGFOYDK-UHFFFAOYSA-N
XLogP6.00
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine (CID 163286288) is N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine is CN(C)CCCOc1ccc(-c2ccc3ncc4nc(-c5ccccc5)n(C5CCOCC5)c4c3c2)cn1.
What is the InChIKey of N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is DWIQDGLFGFOYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O2/c1-35(2)15-6-16-38-29-12-10-24(20-33-29)23-9-11-27-26(19-23)30-28(21-32-27)34-31(22-7-4-3-5-8-22)36(30)25-13-17-37-18-14-25/h3-5,7-12,19-21,25H,6,13-18H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine?
N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 507.64 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-2-phenylimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 163286288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).