2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol

C19H20ClN3O4 — CID 118112159

IUPAC2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
SMILESCOCCCOc1cc2ncnc(Nc3cccc(O)c3Cl)c2cc1OC
InChIInChI=1S/C19H20ClN3O4/c1-25-7-4-8-27-17-10-14-12(9-16(17)26-2)19(22-11-21-14)23-13-5-3-6-15(24)18(13)20/h3,5-6,9-11,24H,4,7-8H2,1-2H3,(H,21,22,23)
InChIKeyBQXBUAJYWNQUFV-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.16
Rot. Bonds8

About 2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol

2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol (PubChem CID 118112159) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
PubChem CID118112159
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
SMILESCOCCCOc1cc2ncnc(Nc3cccc(O)c3Cl)c2cc1OC
InChIInChI=1S/C19H20ClN3O4/c1-25-7-4-8-27-17-10-14-12(9-16(17)26-2)19(22-11-21-14)23-13-5-3-6-15(24)18(13)20/h3,5-6,9-11,24H,4,7-8H2,1-2H3,(H,21,22,23)
InChIKeyBQXBUAJYWNQUFV-UHFFFAOYSA-N
XLogP4.16
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol with MolForge

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Related Compounds

2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
6-methoxy-7-(2-methoxyethoxy)-N-(2,3,5-trimethoxyphenyl)quinazolin-4-amine
CID 11517241
2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
CID 23569361
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide
CID 122195526
5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide
CID 122195527
6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide
CID 127028037

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol?
The IUPAC name of 2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol (CID 118112159) is 2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol.
What is the SMILES notation for 2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol?
The canonical SMILES for 2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol is COCCCOc1cc2ncnc(Nc3cccc(O)c3Cl)c2cc1OC.
What is the InChIKey of 2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol?
The InChIKey is BQXBUAJYWNQUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-25-7-4-8-27-17-10-14-12(9-16(17)26-2)19(22-11-21-14)23-13-5-3-6-15(24)18(13)20/h3,5-6,9-11,24H,4,7-8H2,1-2H3,(H,21,22,23).
What are the key properties of 2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol?
2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol has a molecular weight of 389.84 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol is sourced from PubChem (CID 118112159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).