6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine

C21H22BrN3O — CID 90878443

IUPAC6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine
SMILESCC1CCC(Oc2cc(Br)cc3cnc(Nc4ccccc4)nc23)CC1
InChIInChI=1S/C21H22BrN3O/c1-14-7-9-18(10-8-14)26-19-12-16(22)11-15-13-23-21(25-20(15)19)24-17-5-3-2-4-6-17/h2-6,11-14,18H,7-10H2,1H3,(H,23,24,25)
InChIKeyZKGDTTUMXGFIFQ-UHFFFAOYSA-N
MW412.33 g/mol
LogP6.09
Rot. Bonds4

About 6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine

6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine (PubChem CID 90878443) has the molecular formula C21H22BrN3O and a molecular weight of 412.33 g/mol. Its IUPAC name is 6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine
PubChem CID90878443
Molecular FormulaC21H22BrN3O
Molecular Weight412.33 g/mol
Exact Mass411.09
IUPAC Name6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine
SMILESCC1CCC(Oc2cc(Br)cc3cnc(Nc4ccccc4)nc23)CC1
InChIInChI=1S/C21H22BrN3O/c1-14-7-9-18(10-8-14)26-19-12-16(22)11-15-13-23-21(25-20(15)19)24-17-5-3-2-4-6-17/h2-6,11-14,18H,7-10H2,1H3,(H,23,24,25)
InChIKeyZKGDTTUMXGFIFQ-UHFFFAOYSA-N
XLogP6.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.33
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-8-methoxyquinazolin-4-amine
CID 5328049
8-(3-Dimethylaminopropoxy)-2-[(2-methylphenyl)amino]-4-(N-methylphenylamino)quinazoline
CID 10003444
4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine
CID 156755695
6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine
CID 702722
(6-Bromoquinazolin-4-yl)[4-(2-methylpropoxy)phenyl]amine
CID 1189445
1-(4-Methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea
CID 118709278
4-N-benzyl-8-methoxy-2-N-pyridin-2-ylquinazoline-2,4-diamine
CID 89946488
(3-Bromo-phenyl)-(6-butoxy-quinazolin-4-yl)-amine
CID 44306495
(3-Bromo-phenyl)-(6-isopropoxy-quinazolin-4-yl)-amine
CID 44306496
(6-Bromoquinazolin-4-yl)[4-(methylethoxy)phenyl]amine
CID 1189446
6-bromo-N-(4-propoxyphenyl)quinazolin-4-amine
CID 1569264
(6-Bromoquinazolin-4-yl)(2-methoxyphenyl)amine
CID 675206

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine?
The IUPAC name of 6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine (CID 90878443) is 6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine.
What is the SMILES notation for 6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine?
The canonical SMILES for 6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine is CC1CCC(Oc2cc(Br)cc3cnc(Nc4ccccc4)nc23)CC1.
What is the InChIKey of 6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine?
The InChIKey is ZKGDTTUMXGFIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O/c1-14-7-9-18(10-8-14)26-19-12-16(22)11-15-13-23-21(25-20(15)19)24-17-5-3-2-4-6-17/h2-6,11-14,18H,7-10H2,1H3,(H,23,24,25).
What are the key properties of 6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine?
6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine has a molecular weight of 412.33 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(4-methylcyclohexyl)oxy-N-phenylquinazolin-2-amine is sourced from PubChem (CID 90878443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).