7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline

C13H13FN6OS — CID 133475622

IUPAC7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
SMILESCOc1cc2c(Sc3nnnn3C(C)C)ncnc2cc1F
InChIInChI=1S/C13H13FN6OS/c1-7(2)20-13(17-18-19-20)22-12-8-4-11(21-3)9(14)5-10(8)15-6-16-12/h4-7H,1-3H3
InChIKeyIVTGYMVAHPFFNJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.50
Rot. Bonds4

About 7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline

7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline (PubChem CID 133475622) has the molecular formula C13H13FN6OS and a molecular weight of 320.35 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
PubChem CID133475622
Molecular FormulaC13H13FN6OS
Molecular Weight320.35 g/mol
Exact Mass320.09
IUPAC Name7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
SMILESCOc1cc2c(Sc3nnnn3C(C)C)ncnc2cc1F
InChIInChI=1S/C13H13FN6OS/c1-7(2)20-13(17-18-19-20)22-12-8-4-11(21-3)9(14)5-10(8)15-6-16-12/h4-7H,1-3H3
InChIKeyIVTGYMVAHPFFNJ-UHFFFAOYSA-N
XLogP2.50
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
CID 24508564
6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
CID 133426595
2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole
CID 133475513
2-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyltetrazol-1-yl]-N,N-dimethylethanamine;hydrochloride
CID 171349370
1-(3-fluoro-4-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
CID 18099148
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
6,7-dimethoxy-4-phenylsulfanylquinazoline
CID 141248835
2-(6,7-dimethoxyquinazolin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 71461003
6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline
CID 2808855
N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 133492287
4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline
CID 133492499
7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine
CID 133492096

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline?
The IUPAC name of 7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline (CID 133475622) is 7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline.
What is the SMILES notation for 7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline?
The canonical SMILES for 7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline is COc1cc2c(Sc3nnnn3C(C)C)ncnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline?
The InChIKey is IVTGYMVAHPFFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6OS/c1-7(2)20-13(17-18-19-20)22-12-8-4-11(21-3)9(14)5-10(8)15-6-16-12/h4-7H,1-3H3.
What are the key properties of 7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline?
7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline has a molecular weight of 320.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline is sourced from PubChem (CID 133475622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).