4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine

C22H19BrN4O — CID 156755695

IUPAC4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine
SMILESCOc1cccc(CNc2ccc3ncnc(Nc4ccc(Br)cc4)c3c2)c1
InChIInChI=1S/C22H19BrN4O/c1-28-19-4-2-3-15(11-19)13-24-18-9-10-21-20(12-18)22(26-14-25-21)27-17-7-5-16(23)6-8-17/h2-12,14,24H,13H2,1H3,(H,25,26,27)
InChIKeyOFVMIRNJCZSREB-UHFFFAOYSA-N
MW435.33 g/mol
LogP5.76
Rot. Bonds6

About 4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine

4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine (PubChem CID 156755695) has the molecular formula C22H19BrN4O and a molecular weight of 435.33 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine
PubChem CID156755695
Molecular FormulaC22H19BrN4O
Molecular Weight435.33 g/mol
Exact Mass434.07
IUPAC Name4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine
SMILESCOc1cccc(CNc2ccc3ncnc(Nc4ccc(Br)cc4)c3c2)c1
InChIInChI=1S/C22H19BrN4O/c1-28-19-4-2-3-15(11-19)13-24-18-9-10-21-20(12-18)22(26-14-25-21)27-17-7-5-16(23)6-8-17/h2-12,14,24H,13H2,1H3,(H,25,26,27)
InChIKeyOFVMIRNJCZSREB-UHFFFAOYSA-N
XLogP5.76
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.33
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

PD-153035
CID 4705
N-(4-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 1474852
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
Evp4593
CID 509554
PD-153035 hydrochloride
CID 11246488
N-Desmethyl vandetanib
CID 5329048
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine (CID 156755695) is 4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine is COc1cccc(CNc2ccc3ncnc(Nc4ccc(Br)cc4)c3c2)c1.
What is the InChIKey of 4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine?
The InChIKey is OFVMIRNJCZSREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O/c1-28-19-4-2-3-15(11-19)13-24-18-9-10-21-20(12-18)22(26-14-25-21)27-17-7-5-16(23)6-8-17/h2-12,14,24H,13H2,1H3,(H,25,26,27).
What are the key properties of 4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine?
4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine has a molecular weight of 435.33 g/mol, XLogP of 5.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-6-N-[(3-methoxyphenyl)methyl]quinazoline-4,6-diamine is sourced from PubChem (CID 156755695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).