4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol

C19H19ClN4O4 — CID 135430668

IUPAC4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol
SMILESCOc1cnc(Cl)c(Nc2ncnc3cc(O)cc(OC4CCOCC4)c23)c1
InChIInChI=1S/C19H19ClN4O4/c1-26-13-8-15(18(20)21-9-13)24-19-17-14(22-10-23-19)6-11(25)7-16(17)28-12-2-4-27-5-3-12/h6-10,12,25H,2-5H2,1H3,(H,22,23,24)
InChIKeyOIHNCJZYDXDGRU-UHFFFAOYSA-N
MW402.84 g/mol
LogP3.69
Rot. Bonds5

About 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol

4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol (PubChem CID 135430668) has the molecular formula C19H19ClN4O4 and a molecular weight of 402.84 g/mol. Its IUPAC name is 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol.

Molecular Properties

Compound Name4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol
PubChem CID135430668
Molecular FormulaC19H19ClN4O4
Molecular Weight402.84 g/mol
Exact Mass402.11
IUPAC Name4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol
SMILESCOc1cnc(Cl)c(Nc2ncnc3cc(O)cc(OC4CCOCC4)c23)c1
InChIInChI=1S/C19H19ClN4O4/c1-26-13-8-15(18(20)21-9-13)24-19-17-14(22-10-23-19)6-11(25)7-16(17)28-12-2-4-27-5-3-12/h6-10,12,25H,2-5H2,1H3,(H,22,23,24)
InChIKeyOIHNCJZYDXDGRU-UHFFFAOYSA-N
XLogP3.69
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol
CID 135503699
N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine
CID 86594820
[4-(2,4-dichloro-5-methoxyanilino)-5-(oxan-4-yloxy)quinazolin-7-yl] acetate
CID 22140824
N-(2,4-dichloro-5-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 10144363
N-(3-chloro-4-fluorophenyl)-7-[2-[2-methoxyethyl(methyl)amino]ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 68885905
N-(5-chloronaphthalen-1-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;dihydrochloride
CID 22140771
N-(5-chloro-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)quinazolin-4-amine
CID 126605179
N-(5-chloro-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-[2-[4-(trideuteriomethyl)piperazin-1-yl]ethoxy]quinazolin-4-amine
CID 173003015
N-(5-chloro-2,2-dideuterio-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-[2-[4-(trideuteriomethyl)piperazin-1-yl]ethoxy]quinazolin-4-amine
CID 138698452
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine;hydrochloride
CID 11974114
N-(1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
CID 11974021
N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide
CID 175880878

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol?
The IUPAC name of 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol (CID 135430668) is 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol.
What is the SMILES notation for 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol?
The canonical SMILES for 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol is COc1cnc(Cl)c(Nc2ncnc3cc(O)cc(OC4CCOCC4)c23)c1.
What is the InChIKey of 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol?
The InChIKey is OIHNCJZYDXDGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4/c1-26-13-8-15(18(20)21-9-13)24-19-17-14(22-10-23-19)6-11(25)7-16(17)28-12-2-4-27-5-3-12/h6-10,12,25H,2-5H2,1H3,(H,22,23,24).
What are the key properties of 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol?
4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol has a molecular weight of 402.84 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol is sourced from PubChem (CID 135430668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).