7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline

C14H16BrN3O — CID 69460039

IUPAC7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline
SMILESCO[C@H]1CCN(c2nc(C)nc3cc(Br)ccc23)C1
InChIInChI=1S/C14H16BrN3O/c1-9-16-13-7-10(15)3-4-12(13)14(17-9)18-6-5-11(8-18)19-2/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m0/s1
InChIKeyJWKYQAOWMVKJRH-NSHDSACASA-N
MW322.21 g/mol
LogP2.93
Rot. Bonds2

About 7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline

7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline (PubChem CID 69460039) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline.

Molecular Properties

Compound Name7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline
PubChem CID69460039
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline
SMILESCO[C@H]1CCN(c2nc(C)nc3cc(Br)ccc23)C1
InChIInChI=1S/C14H16BrN3O/c1-9-16-13-7-10(15)3-4-12(13)14(17-9)18-6-5-11(8-18)19-2/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m0/s1
InChIKeyJWKYQAOWMVKJRH-NSHDSACASA-N
XLogP2.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline?
The IUPAC name of 7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline (CID 69460039) is 7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline.
What is the SMILES notation for 7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline?
The canonical SMILES for 7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline is CO[C@H]1CCN(c2nc(C)nc3cc(Br)ccc23)C1.
What is the InChIKey of 7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline?
The InChIKey is JWKYQAOWMVKJRH-NSHDSACASA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9-16-13-7-10(15)3-4-12(13)14(17-9)18-6-5-11(8-18)19-2/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m0/s1.
What are the key properties of 7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline?
7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline has a molecular weight of 322.21 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline is sourced from PubChem (CID 69460039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).