4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine

C24H28N4O — CID 53467766

IUPAC4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCc1cccc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1
InChIInChI=1S/C24H28N4O/c1-18-4-2-5-19(14-18)20-6-3-9-28(16-20)24-22-8-7-21(15-23(22)25-17-26-24)27-10-12-29-13-11-27/h2,4-5,7-8,14-15,17,20H,3,6,9-13,16H2,1H3
InChIKeyGEAWGCJQCGWBBV-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.16
Rot. Bonds3

About 4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine

4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 53467766) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID53467766
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCc1cccc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1
InChIInChI=1S/C24H28N4O/c1-18-4-2-5-19(14-18)20-6-3-9-28(16-20)24-22-8-7-21(15-23(22)25-17-26-24)27-10-12-29-13-11-27/h2,4-5,7-8,14-15,17,20H,3,6,9-13,16H2,1H3
InChIKeyGEAWGCJQCGWBBV-UHFFFAOYSA-N
XLogP4.16
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 53467982
4-[4-[3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71203364
4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202760
4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202759
(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203426
N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine
CID 123203019
(S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203396
4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 158251255
[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol
CID 123428635
4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121
4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid
CID 1414117
7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline
CID 11545321

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine (CID 53467766) is 4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine is Cc1cccc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1.
What is the InChIKey of 4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is GEAWGCJQCGWBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-4-2-5-19(14-18)20-6-3-9-28(16-20)24-22-8-7-21(15-23(22)25-17-26-24)27-10-12-29-13-11-27/h2,4-5,7-8,14-15,17,20H,3,6,9-13,16H2,1H3.
What are the key properties of 4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 388.52 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 53467766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).