(3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol

C19H18FN3O — CID 97126187

IUPAC(3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol
SMILESCc1ccccc1[C@]1(O)CCN(c2ncnc3cc(F)ccc23)C1
InChIInChI=1S/C19H18FN3O/c1-13-4-2-3-5-16(13)19(24)8-9-23(11-19)18-15-7-6-14(20)10-17(15)21-12-22-18/h2-7,10,12,24H,8-9,11H2,1H3/t19-/m0/s1
InChIKeyPFDULXZCCJOROD-IBGZPJMESA-N
MW323.37 g/mol
LogP3.18
Rot. Bonds2

About (3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol

(3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol (PubChem CID 97126187) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is (3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol
PubChem CID97126187
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name(3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol
SMILESCc1ccccc1[C@]1(O)CCN(c2ncnc3cc(F)ccc23)C1
InChIInChI=1S/C19H18FN3O/c1-13-4-2-3-5-16(13)19(24)8-9-23(11-19)18-15-7-6-14(20)10-17(15)21-12-22-18/h2-7,10,12,24H,8-9,11H2,1H3/t19-/m0/s1
InChIKeyPFDULXZCCJOROD-IBGZPJMESA-N
XLogP3.18
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol (CID 97126187) is (3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol is Cc1ccccc1[C@]1(O)CCN(c2ncnc3cc(F)ccc23)C1.
What is the InChIKey of (3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol?
The InChIKey is PFDULXZCCJOROD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13-4-2-3-5-16(13)19(24)8-9-23(11-19)18-15-7-6-14(20)10-17(15)21-12-22-18/h2-7,10,12,24H,8-9,11H2,1H3/t19-/m0/s1.
What are the key properties of (3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol?
(3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol has a molecular weight of 323.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 97126187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).