(2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene

C26H24BrN5O3 — CID 177376243

IUPAC(2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene
SMILESCOc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccccc1Br
InChIInChI=1S/C26H24BrN5O3/c1-16-20-11-17(13-24(25(20)30-15-29-16)35-19-7-9-34-10-8-19)18-12-23(26(33-2)28-14-18)32-31-22-6-4-3-5-21(22)27/h3-6,11-15,19H,7-10H2,1-2H3/b32-31+
InChIKeyFQHUMXGMSNOHSE-QNEJGDQOSA-N
MW534.41 g/mol
LogP6.74
Rot. Bonds6

About (2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene

(2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene (PubChem CID 177376243) has the molecular formula C26H24BrN5O3 and a molecular weight of 534.41 g/mol. Its IUPAC name is (2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene.

Molecular Properties

Compound Name(2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene
PubChem CID177376243
Molecular FormulaC26H24BrN5O3
Molecular Weight534.41 g/mol
Exact Mass533.11
IUPAC Name(2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene
SMILESCOc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccccc1Br
InChIInChI=1S/C26H24BrN5O3/c1-16-20-11-17(13-24(25(20)30-15-29-16)35-19-7-9-34-10-8-19)18-12-23(26(33-2)28-14-18)32-31-22-6-4-3-5-21(22)27/h3-6,11-15,19H,7-10H2,1-2H3/b32-31+
InChIKeyFQHUMXGMSNOHSE-QNEJGDQOSA-N
XLogP6.74
TPSA91.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.41
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]-phenyldiazene
CID 177376237
(4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene
CID 177376240
6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline
CID 176913009
6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline
CID 135197733
6-[5-[[(2,4-difluorophenyl)-methylidene-oxo-λ6-sulfanyl]amino]-6-methoxy-3-pyridinyl]-N-ethyl-4-methyl-8-(oxan-4-yloxy)quinazolin-2-amine
CID 167602832
5-chloro-N-[2-methoxy-5-[4-methyl-2-(methylamino)-8-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]-3-pyridinyl]thiophene-2-sulfonamide
CID 135197606
6-[5-[[(2,4-difluorophenyl)-methylidene-oxo-λ6-sulfanyl]amino]-6-methoxy-3-pyridinyl]-N,4-dimethyl-8-[(3S)-oxolan-3-yl]oxyquinazolin-2-amine
CID 167551038
2-(8-methoxy-4-methylquinazolin-6-yl)-5-methyl-1,3-thiazole
CID 155354082
6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline
CID 155354002
N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide
CID 176898167
N-[5-[8-(difluoromethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197573
5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole
CID 155354025

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene?
The IUPAC name of (2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene (CID 177376243) is (2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene.
What is the SMILES notation for (2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene?
The canonical SMILES for (2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene is COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene?
The InChIKey is FQHUMXGMSNOHSE-QNEJGDQOSA-N. The full InChI is InChI=1S/C26H24BrN5O3/c1-16-20-11-17(13-24(25(20)30-15-29-16)35-19-7-9-34-10-8-19)18-12-23(26(33-2)28-14-18)32-31-22-6-4-3-5-21(22)27/h3-6,11-15,19H,7-10H2,1-2H3/b32-31+.
What are the key properties of (2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene?
(2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene has a molecular weight of 534.41 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene is sourced from PubChem (CID 177376243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).