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

C24H22ClN5O3 — CID 118954975

IUPAC[2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
SMILESCOc1cncnc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)ccc1Cl
InChIInChI=1S/C24H22ClN5O3/c1-32-21-12-26-13-28-23(21)24(31)18-10-15(2-5-19(18)25)22-17-4-3-16(11-20(17)27-14-29-22)30-6-8-33-9-7-30/h2-5,10-14,24,31H,6-9H2,1H3
InChIKeyOTIHBNMSAHVGDN-UHFFFAOYSA-N
MW463.93 g/mol
LogP3.67
Rot. Bonds5

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

[2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol (PubChem CID 118954975) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is [2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol.

Molecular Properties

Compound Name[2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
PubChem CID118954975
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC Name[2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
SMILESCOc1cncnc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)ccc1Cl
InChIInChI=1S/C24H22ClN5O3/c1-32-21-12-26-13-28-23(21)24(31)18-10-15(2-5-19(18)25)22-17-4-3-16(11-20(17)27-14-29-22)30-6-8-33-9-7-30/h2-5,10-14,24,31H,6-9H2,1H3
InChIKeyOTIHBNMSAHVGDN-UHFFFAOYSA-N
XLogP3.67
TPSA93.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
CID 135268970
[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
[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol
CID 135268524
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazin-2-ylmethanol
CID 118954905
N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine
CID 159396338
(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
(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86294562
methyl 2-[6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridazin-3-yl]oxyacetate
CID 118954756
[2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol
CID 135268595
[2-chloro-5-(5,6-dideuterio-7-morpholin-4-ylquinazolin-4-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol
CID 118954836

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol?
The IUPAC name of [2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol (CID 118954975) is [2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol.
What is the SMILES notation for [2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol?
The canonical SMILES for [2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol is COc1cncnc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)ccc1Cl.
What is the InChIKey of [2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol?
The InChIKey is OTIHBNMSAHVGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-32-21-12-26-13-28-23(21)24(31)18-10-15(2-5-19(18)25)22-17-4-3-16(11-20(17)27-14-29-22)30-6-8-33-9-7-30/h2-5,10-14,24,31H,6-9H2,1H3.
What are the key properties of [2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol?
[2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol has a molecular weight of 463.93 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol is sourced from PubChem (CID 118954975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).