[2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol

C25H25N5O4 — CID 135268970

IUPAC[2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
SMILESCOc1ccc(-c2ncnc3cc(N4CCOCC4)ccc23)cc1C(O)c1ncncc1OC
InChIInChI=1S/C25H25N5O4/c1-32-21-6-3-16(11-19(21)25(31)24-22(33-2)13-26-14-28-24)23-18-5-4-17(12-20(18)27-15-29-23)30-7-9-34-10-8-30/h3-6,11-15,25,31H,7-10H2,1-2H3
InChIKeyOKLXXWKLCVCBLL-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.02
Rot. Bonds6

About [2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol

[2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol (PubChem CID 135268970) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is [2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol.

Molecular Properties

Compound Name[2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
PubChem CID135268970
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name[2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
SMILESCOc1ccc(-c2ncnc3cc(N4CCOCC4)ccc23)cc1C(O)c1ncncc1OC
InChIInChI=1S/C25H25N5O4/c1-32-21-6-3-16(11-19(21)25(31)24-22(33-2)13-26-14-28-24)23-18-5-4-17(12-20(18)27-15-29-23)30-7-9-34-10-8-30/h3-6,11-15,25,31H,7-10H2,1-2H3
InChIKeyOKLXXWKLCVCBLL-UHFFFAOYSA-N
XLogP3.02
TPSA102.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
CID 118954975
[2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[(4E,7E)-2-methoxy-3,6-dihydroazocin-5-yl]methanol
CID 123451851
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
CID 144744982
(3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 135268560
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methoxypyridazin-3-yl)methanol
CID 118954974
[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol
CID 135268524
N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine
CID 159396338
(5,6-dimethylpyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954958
(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86294562
[3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86292452
2-amino-1-(2-methoxy-5-morpholin-4-ylphenyl)ethanol
CID 117384184
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazin-2-ylmethanol
CID 118954905

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol?
The IUPAC name of [2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol (CID 135268970) is [2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol.
What is the SMILES notation for [2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol?
The canonical SMILES for [2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol is COc1ccc(-c2ncnc3cc(N4CCOCC4)ccc23)cc1C(O)c1ncncc1OC.
What is the InChIKey of [2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol?
The InChIKey is OKLXXWKLCVCBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-32-21-6-3-16(11-19(21)25(31)24-22(33-2)13-26-14-28-24)23-18-5-4-17(12-20(18)27-15-29-23)30-7-9-34-10-8-30/h3-6,11-15,25,31H,7-10H2,1-2H3.
What are the key properties of [2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol?
[2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol has a molecular weight of 459.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol is sourced from PubChem (CID 135268970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).