6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine

C33H37N5O5 — CID 170017299

IUPAC6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine
SMILESCc1cc(Nc2ccc(C3OCCO3)nc2)c2cc(N3CC(C)OC(CNc4ccc(C5OCCO5)cc4)C3)ccc2n1
InChIInChI=1S/C33H37N5O5/c1-21-15-31(37-25-7-9-30(35-17-25)33-41-13-14-42-33)28-16-26(8-10-29(28)36-21)38-19-22(2)43-27(20-38)18-34-24-5-3-23(4-6-24)32-39-11-12-40-32/h3-10,15-17,22,27,32-34H,11-14,18-20H2,1-2H3,(H,36,37)
InChIKeyNTEZAXFNTAMLTG-UHFFFAOYSA-N
MW583.69 g/mol
LogP5.48
Rot. Bonds8

About 6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine

6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine (PubChem CID 170017299) has the molecular formula C33H37N5O5 and a molecular weight of 583.69 g/mol. Its IUPAC name is 6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine.

Molecular Properties

Compound Name6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine
PubChem CID170017299
Molecular FormulaC33H37N5O5
Molecular Weight583.69 g/mol
Exact Mass583.28
IUPAC Name6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine
SMILESCc1cc(Nc2ccc(C3OCCO3)nc2)c2cc(N3CC(C)OC(CNc4ccc(C5OCCO5)cc4)C3)ccc2n1
InChIInChI=1S/C33H37N5O5/c1-21-15-31(37-25-7-9-30(35-17-25)33-41-13-14-42-33)28-16-26(8-10-29(28)36-21)38-19-22(2)43-27(20-38)18-34-24-5-3-23(4-6-24)32-39-11-12-40-32/h3-10,15-17,22,27,32-34H,11-14,18-20H2,1-2H3,(H,36,37)
InChIKeyNTEZAXFNTAMLTG-UHFFFAOYSA-N
XLogP5.48
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.69
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine?
The IUPAC name of 6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine (CID 170017299) is 6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine.
What is the SMILES notation for 6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine?
The canonical SMILES for 6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine is Cc1cc(Nc2ccc(C3OCCO3)nc2)c2cc(N3CC(C)OC(CNc4ccc(C5OCCO5)cc4)C3)ccc2n1.
What is the InChIKey of 6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine?
The InChIKey is NTEZAXFNTAMLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5O5/c1-21-15-31(37-25-7-9-30(35-17-25)33-41-13-14-42-33)28-16-26(8-10-29(28)36-21)38-19-22(2)43-27(20-38)18-34-24-5-3-23(4-6-24)32-39-11-12-40-32/h3-10,15-17,22,27,32-34H,11-14,18-20H2,1-2H3,(H,36,37).
What are the key properties of 6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine?
6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine has a molecular weight of 583.69 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 170017299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).