[1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane

C16H22ClN3O — CID 142498271

IUPAC[1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane
SMILESCC.Cc1ccc2c(N3CCCC3CO)nc(Cl)nc2c1
InChIInChI=1S/C14H16ClN3O.C2H6/c1-9-4-5-11-12(7-9)16-14(15)17-13(11)18-6-2-3-10(18)8-19;1-2/h4-5,7,10,19H,2-3,6,8H2,1H3;1-2H3
InChIKeyPJOAMJKWOCAKQL-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.58
Rot. Bonds2

About [1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane

[1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane (PubChem CID 142498271) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is [1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane.

Molecular Properties

Compound Name[1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane
PubChem CID142498271
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name[1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane
SMILESCC.Cc1ccc2c(N3CCCC3CO)nc(Cl)nc2c1
InChIInChI=1S/C14H16ClN3O.C2H6/c1-9-4-5-11-12(7-9)16-14(15)17-13(11)18-6-2-3-10(18)8-19;1-2/h4-5,7,10,19H,2-3,6,8H2,1H3;1-2H3
InChIKeyPJOAMJKWOCAKQL-UHFFFAOYSA-N
XLogP3.58
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 79075782
2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol
CID 112748767
[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 142498248
[1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 137363254
[1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol
CID 18452846
4-[[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylquinazolin-7-yl]oxymethyl]benzonitrile
CID 18452851
[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 137363788
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708
[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 69305279
[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol
CID 137363510
2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline
CID 22693293
[1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 137363110

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane?
The IUPAC name of [1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane (CID 142498271) is [1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane.
What is the SMILES notation for [1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane?
The canonical SMILES for [1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane is CC.Cc1ccc2c(N3CCCC3CO)nc(Cl)nc2c1.
What is the InChIKey of [1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane?
The InChIKey is PJOAMJKWOCAKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O.C2H6/c1-9-4-5-11-12(7-9)16-14(15)17-13(11)18-6-2-3-10(18)8-19;1-2/h4-5,7,10,19H,2-3,6,8H2,1H3;1-2H3.
What are the key properties of [1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane?
[1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane has a molecular weight of 307.83 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane is sourced from PubChem (CID 142498271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).