1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol

C23H24N4O3 — CID 44533485

IUPAC1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol
SMILESCOc1cc(NCC(O)CNc2cc(OC)c3ccccc3n2)nc2ccccc12
InChIInChI=1S/C23H24N4O3/c1-29-20-11-22(26-18-9-5-3-7-16(18)20)24-13-15(28)14-25-23-12-21(30-2)17-8-4-6-10-19(17)27-23/h3-12,15,28H,13-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyMZKLUKXVYOGJTF-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.69
Rot. Bonds8

About 1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol

1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol (PubChem CID 44533485) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol
PubChem CID44533485
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol
SMILESCOc1cc(NCC(O)CNc2cc(OC)c3ccccc3n2)nc2ccccc12
InChIInChI=1S/C23H24N4O3/c1-29-20-11-22(26-18-9-5-3-7-16(18)20)24-13-15(28)14-25-23-12-21(30-2)17-8-4-6-10-19(17)27-23/h3-12,15,28H,13-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyMZKLUKXVYOGJTF-UHFFFAOYSA-N
XLogP3.69
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol?
The IUPAC name of 1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol (CID 44533485) is 1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol is COc1cc(NCC(O)CNc2cc(OC)c3ccccc3n2)nc2ccccc12.
What is the InChIKey of 1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol?
The InChIKey is MZKLUKXVYOGJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-20-11-22(26-18-9-5-3-7-16(18)20)24-13-15(28)14-25-23-12-21(30-2)17-8-4-6-10-19(17)27-23/h3-12,15,28H,13-14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol?
1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol has a molecular weight of 404.47 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-methoxyquinolin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 44533485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).