N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine

C16H13BrN6O2 — CID 10692410

IUPACN-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1cc2c(Nc3cccc(Br)c3)nc3nnnn3c2cc1OC
InChIInChI=1S/C16H13BrN6O2/c1-24-13-7-11-12(8-14(13)25-2)23-16(20-21-22-23)19-15(11)18-10-5-3-4-9(17)6-10/h3-8H,1-2H3,(H,18,19,20,22)
InChIKeySGORGWPDEJRJOR-UHFFFAOYSA-N
MW401.22 g/mol
LogP3.20
Rot. Bonds4

About N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine

N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine (PubChem CID 10692410) has the molecular formula C16H13BrN6O2 and a molecular weight of 401.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine
PubChem CID10692410
Molecular FormulaC16H13BrN6O2
Molecular Weight401.22 g/mol
Exact Mass400.03
IUPAC NameN-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1cc2c(Nc3cccc(Br)c3)nc3nnnn3c2cc1OC
InChIInChI=1S/C16H13BrN6O2/c1-24-13-7-11-12(8-14(13)25-2)23-16(20-21-22-23)19-15(11)18-10-5-3-4-9(17)6-10/h3-8H,1-2H3,(H,18,19,20,22)
InChIKeySGORGWPDEJRJOR-UHFFFAOYSA-N
XLogP3.20
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
N-(3-bromophenyl)-2-chloro-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 141376740
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
3-(3-bromoanilino)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
CID 134329138
N-(3-bromophenyl)-4-chlorophthalazin-1-amine
CID 63549234
N-(3-bromophenyl)-6,7-dimethoxy-4,4-dimethyl-1H-indeno[2,1-d]pyrazol-3-amine
CID 18445583
2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904556
2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine
CID 70991175
N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine
CID 102750053
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
CID 22432233
4-N-(3-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541507
(2R,3R,4R,5R)-2-[4-(3-bromoanilino)-6-methoxyquinazolin-7-yl]oxy-5-fluorohexane-1,3,4,6-tetrol;hydrate
CID 141243550

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine (CID 10692410) is N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine is COc1cc2c(Nc3cccc(Br)c3)nc3nnnn3c2cc1OC.
What is the InChIKey of N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is SGORGWPDEJRJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN6O2/c1-24-13-7-11-12(8-14(13)25-2)23-16(20-21-22-23)19-15(11)18-10-5-3-4-9(17)6-10/h3-8H,1-2H3,(H,18,19,20,22).
What are the key properties of N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine?
N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 401.22 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-7,8-dimethoxytetrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 10692410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).