(3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol

C26H25BrN4O3 — CID 135268560

IUPAC(3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESCOc1cnc(C(O)c2ccc(C)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)c(Br)c1
InChIInChI=1S/C26H25BrN4O3/c1-16-3-4-17(26(32)25-22(27)13-19(33-2)14-28-25)11-21(16)24-20-6-5-18(12-23(20)29-15-30-24)31-7-9-34-10-8-31/h3-6,11-15,26,32H,7-10H2,1-2H3
InChIKeyPKGYWFVUVSYYGZ-UHFFFAOYSA-N
MW521.42 g/mol
LogP4.69
Rot. Bonds5

About (3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol

(3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (PubChem CID 135268560) has the molecular formula C26H25BrN4O3 and a molecular weight of 521.42 g/mol. Its IUPAC name is (3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name(3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
PubChem CID135268560
Molecular FormulaC26H25BrN4O3
Molecular Weight521.42 g/mol
Exact Mass520.11
IUPAC Name(3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESCOc1cnc(C(O)c2ccc(C)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)c(Br)c1
InChIInChI=1S/C26H25BrN4O3/c1-16-3-4-17(26(32)25-22(27)13-19(33-2)14-28-25)11-21(16)24-20-6-5-18(12-23(20)29-15-30-24)31-7-9-34-10-8-31/h3-6,11-15,26,32H,7-10H2,1-2H3
InChIKeyPKGYWFVUVSYYGZ-UHFFFAOYSA-N
XLogP4.69
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methoxypyridazin-3-yl)methanol
CID 118954974
(5,6-dimethylpyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954958
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
CID 144744982
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118955010
(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
4-[4-[2-fluoro-5-[methoxy-(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 118954815
ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine
CID 144744804
[2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
CID 135268970
[6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954923
[2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
CID 118954975
ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
CID 144744998

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The IUPAC name of (3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (CID 135268560) is (3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.
What is the SMILES notation for (3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The canonical SMILES for (3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is COc1cnc(C(O)c2ccc(C)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)c(Br)c1.
What is the InChIKey of (3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The InChIKey is PKGYWFVUVSYYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN4O3/c1-16-3-4-17(26(32)25-22(27)13-19(33-2)14-28-25)11-21(16)24-20-6-5-18(12-23(20)29-15-30-24)31-7-9-34-10-8-31/h3-6,11-15,26,32H,7-10H2,1-2H3.
What are the key properties of (3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
(3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol has a molecular weight of 521.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is sourced from PubChem (CID 135268560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).