1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol

C20H22N4O — CID 50946841

IUPAC1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol
SMILESCC(O)c1cccc(Nc2nc(N3CCCC3)c3ccccc3n2)c1
InChIInChI=1S/C20H22N4O/c1-14(25)15-7-6-8-16(13-15)21-20-22-18-10-3-2-9-17(18)19(23-20)24-11-4-5-12-24/h2-3,6-10,13-14,25H,4-5,11-12H2,1H3,(H,21,22,23)
InChIKeyDLKUCXDHTSIPEX-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.03
Rot. Bonds4

About 1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol

1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol (PubChem CID 50946841) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol
PubChem CID50946841
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol
SMILESCC(O)c1cccc(Nc2nc(N3CCCC3)c3ccccc3n2)c1
InChIInChI=1S/C20H22N4O/c1-14(25)15-7-6-8-16(13-15)21-20-22-18-10-3-2-9-17(18)19(23-20)24-11-4-5-12-24/h2-3,6-10,13-14,25H,4-5,11-12H2,1H3,(H,21,22,23)
InChIKeyDLKUCXDHTSIPEX-UHFFFAOYSA-N
XLogP4.03
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol (CID 50946841) is 1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol is CC(O)c1cccc(Nc2nc(N3CCCC3)c3ccccc3n2)c1.
What is the InChIKey of 1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol?
The InChIKey is DLKUCXDHTSIPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14(25)15-7-6-8-16(13-15)21-20-22-18-10-3-2-9-17(18)19(23-20)24-11-4-5-12-24/h2-3,6-10,13-14,25H,4-5,11-12H2,1H3,(H,21,22,23).
What are the key properties of 1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol?
1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol has a molecular weight of 334.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 50946841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).