[2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol

C25H29N3O3 — CID 90309198

IUPAC[2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol
SMILESNc1nc2ccc(-c3ccccc3C3CC(CO)CCO3)cc2cc1N1CCOCC1
InChIInChI=1S/C25H29N3O3/c26-25-23(28-8-11-30-12-9-28)15-19-14-18(5-6-22(19)27-25)20-3-1-2-4-21(20)24-13-17(16-29)7-10-31-24/h1-6,14-15,17,24,29H,7-13,16H2,(H2,26,27)
InChIKeyNTBFQGABBMFKOR-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.78
Rot. Bonds4

About [2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol

[2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol (PubChem CID 90309198) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is [2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol
PubChem CID90309198
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name[2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol
SMILESNc1nc2ccc(-c3ccccc3C3CC(CO)CCO3)cc2cc1N1CCOCC1
InChIInChI=1S/C25H29N3O3/c26-25-23(28-8-11-30-12-9-28)15-19-14-18(5-6-22(19)27-25)20-3-1-2-4-21(20)24-13-17(16-29)7-10-31-24/h1-6,14-15,17,24,29H,7-13,16H2,(H2,26,27)
InChIKeyNTBFQGABBMFKOR-UHFFFAOYSA-N
XLogP3.78
TPSA80.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol?
The IUPAC name of [2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol (CID 90309198) is [2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol.
What is the SMILES notation for [2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol?
The canonical SMILES for [2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol is Nc1nc2ccc(-c3ccccc3C3CC(CO)CCO3)cc2cc1N1CCOCC1.
What is the InChIKey of [2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol?
The InChIKey is NTBFQGABBMFKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c26-25-23(28-8-11-30-12-9-28)15-19-14-18(5-6-22(19)27-25)20-3-1-2-4-21(20)24-13-17(16-29)7-10-31-24/h1-6,14-15,17,24,29H,7-13,16H2,(H2,26,27).
What are the key properties of [2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol?
[2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol has a molecular weight of 419.53 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)phenyl]oxan-4-yl]methanol is sourced from PubChem (CID 90309198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).