5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol

C19H21F2N3O — CID 133461945

IUPAC5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol
SMILESCc1nc2c(c(N3CC(O)CC3c3cc(F)ccc3F)n1)CCCC2
InChIInChI=1S/C19H21F2N3O/c1-11-22-17-5-3-2-4-14(17)19(23-11)24-10-13(25)9-18(24)15-8-12(20)6-7-16(15)21/h6-8,13,18,25H,2-5,9-10H2,1H3
InChIKeyYPBREKPSGOAZHZ-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.25
Rot. Bonds2

About 5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol

5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol (PubChem CID 133461945) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol
PubChem CID133461945
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol
SMILESCc1nc2c(c(N3CC(O)CC3c3cc(F)ccc3F)n1)CCCC2
InChIInChI=1S/C19H21F2N3O/c1-11-22-17-5-3-2-4-14(17)19(23-11)24-10-13(25)9-18(24)15-8-12(20)6-7-16(15)21/h6-8,13,18,25H,2-5,9-10H2,1H3
InChIKeyYPBREKPSGOAZHZ-UHFFFAOYSA-N
XLogP3.25
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 133461946
(3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 129447288
(3R,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 129447289
(3R,5R)-5-(2,5-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129402157
(3S,5S)-5-(2,5-difluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol
CID 129381401
(3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol
CID 158694292
2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 100647104
2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 128964357
5-(2,5-difluorophenyl)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-ol
CID 128975508
6-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridazine-3-carboxamide
CID 128975469
(3R,5S)-5-(2,5-difluorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-ol
CID 98874115
1-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 129372684

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol (CID 133461945) is 5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol is Cc1nc2c(c(N3CC(O)CC3c3cc(F)ccc3F)n1)CCCC2.
What is the InChIKey of 5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol?
The InChIKey is YPBREKPSGOAZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-11-22-17-5-3-2-4-14(17)19(23-11)24-10-13(25)9-18(24)15-8-12(20)6-7-16(15)21/h6-8,13,18,25H,2-5,9-10H2,1H3.
What are the key properties of 5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol?
5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol has a molecular weight of 345.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 133461945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).