4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline

C18H17F3N4O — CID 150369278

IUPAC4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline
SMILESFC(F)(F)c1nc(OCCN2CCCC2)c2cc3ccccc3nc2n1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)17-23-15-13(11-12-5-1-2-6-14(12)22-15)16(24-17)26-10-9-25-7-3-4-8-25/h1-2,5-6,11H,3-4,7-10H2
InChIKeyGXJNXAJLTZUJHH-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.67
Rot. Bonds4

About 4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline

4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline (PubChem CID 150369278) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline
PubChem CID150369278
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline
SMILESFC(F)(F)c1nc(OCCN2CCCC2)c2cc3ccccc3nc2n1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)17-23-15-13(11-12-5-1-2-6-14(12)22-15)16(24-17)26-10-9-25-7-3-4-8-25/h1-2,5-6,11H,3-4,7-10H2
InChIKeyGXJNXAJLTZUJHH-UHFFFAOYSA-N
XLogP3.67
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80871304
N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80879172
6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774343
1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide
CID 161026230
3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine
CID 175884266
3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline
CID 18678270
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]methanol
CID 63376244
formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine
CID 130345824
[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone
CID 90670617
[1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol
CID 106768736
2-(2-piperidin-1-ylethoxy)quinolin-6-amine
CID 61104220

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline?
The IUPAC name of 4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline (CID 150369278) is 4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline is FC(F)(F)c1nc(OCCN2CCCC2)c2cc3ccccc3nc2n1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline?
The InChIKey is GXJNXAJLTZUJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c19-18(20,21)17-23-15-13(11-12-5-1-2-6-14(12)22-15)16(24-17)26-10-9-25-7-3-4-8-25/h1-2,5-6,11H,3-4,7-10H2.
What are the key properties of 4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline?
4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline has a molecular weight of 362.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline is sourced from PubChem (CID 150369278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).