[1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol

C18H23N3O2 — CID 18452846

IUPAC[1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1nc(N2CCCC2CO)c2ccc(OCC3CC3)cc2n1
InChIInChI=1S/C18H23N3O2/c1-12-19-17-9-15(23-11-13-4-5-13)6-7-16(17)18(20-12)21-8-2-3-14(21)10-22/h6-7,9,13-14,22H,2-5,8,10-11H2,1H3
InChIKeyGJVQZHMAUUQRIX-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.69
Rot. Bonds5

About [1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol

[1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 18452846) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID18452846
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1nc(N2CCCC2CO)c2ccc(OCC3CC3)cc2n1
InChIInChI=1S/C18H23N3O2/c1-12-19-17-9-15(23-11-13-4-5-13)6-7-16(17)18(20-12)21-8-2-3-14(21)10-22/h6-7,9,13-14,22H,2-5,8,10-11H2,1H3
InChIKeyGJVQZHMAUUQRIX-UHFFFAOYSA-N
XLogP2.69
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylquinazolin-7-yl]oxymethyl]benzonitrile
CID 18452851
[1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane
CID 142498271
[(2S)-1-[2-methyl-7-(pyridin-3-ylmethoxy)quinolin-4-yl]pyrrolidin-2-yl]methanol
CID 69288728
[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 69305279
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 18452845
[1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol
CID 116633977
[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 97044430
[1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794639
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
[1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol
CID 71648493
7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 22641299

Frequently Asked Questions

What is the IUPAC name of [1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol (CID 18452846) is [1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol is Cc1nc(N2CCCC2CO)c2ccc(OCC3CC3)cc2n1.
What is the InChIKey of [1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is GJVQZHMAUUQRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-19-17-9-15(23-11-13-4-5-13)6-7-16(17)18(20-12)21-8-2-3-14(21)10-22/h6-7,9,13-14,22H,2-5,8,10-11H2,1H3.
What are the key properties of [1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol?
[1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 313.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[7-(cyclopropylmethoxy)-2-methylquinazolin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 18452846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).