7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine

C17H18BrN3O2 — CID 68546471

IUPAC7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine
SMILESCOc1cccc(OC)c1CN1Cc2ccc(Br)cc2N=C1N
InChIInChI=1S/C17H18BrN3O2/c1-22-15-4-3-5-16(23-2)13(15)10-21-9-11-6-7-12(18)8-14(11)20-17(21)19/h3-8H,9-10H2,1-2H3,(H2,19,20)
InChIKeyHCEGZCOEHSMPCN-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.43
Rot. Bonds4

About 7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine

7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine (PubChem CID 68546471) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine.

Molecular Properties

Compound Name7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine
PubChem CID68546471
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine
SMILESCOc1cccc(OC)c1CN1Cc2ccc(Br)cc2N=C1N
InChIInChI=1S/C17H18BrN3O2/c1-22-15-4-3-5-16(23-2)13(15)10-21-9-11-6-7-12(18)8-14(11)20-17(21)19/h3-8H,9-10H2,1-2H3,(H2,19,20)
InChIKeyHCEGZCOEHSMPCN-UHFFFAOYSA-N
XLogP3.43
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,6-dimethoxyphenyl)methyl]-7-[4-(trifluoromethoxy)phenyl]-4H-quinazolin-2-amine
CID 69158443
7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine
CID 86297642
5-bromo-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661491
1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline
CID 63458182
6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole
CID 118105222
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine
CID 86098714
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43370115
1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501605
3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline
CID 68554630
5-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-9-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-amine
CID 90037320
(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine?
The IUPAC name of 7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine (CID 68546471) is 7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine.
What is the SMILES notation for 7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine?
The canonical SMILES for 7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine is COc1cccc(OC)c1CN1Cc2ccc(Br)cc2N=C1N.
What is the InChIKey of 7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine?
The InChIKey is HCEGZCOEHSMPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-22-15-4-3-5-16(23-2)13(15)10-21-9-11-6-7-12(18)8-14(11)20-17(21)19/h3-8H,9-10H2,1-2H3,(H2,19,20).
What are the key properties of 7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine?
7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine has a molecular weight of 376.25 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine is sourced from PubChem (CID 68546471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).