morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide

C30H34N6O4 — CID 174681123

IUPACmorpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide
SMILESC1COCCN1.NC(=O)c1ccccc1-c1nc(-c2cccnc2)nc2ccc(OCCN3CCOCC3)cc12
InChIInChI=1S/C26H25N5O3.C4H9NO/c27-25(32)21-6-2-1-5-20(21)24-22-16-19(34-15-12-31-10-13-33-14-11-31)7-8-23(22)29-26(30-24)18-4-3-9-28-17-18;1-3-6-4-2-5-1/h1-9,16-17H,10-15H2,(H2,27,32);5H,1-4H2
InChIKeyYHMLAGXDSLNMAM-UHFFFAOYSA-N
MW542.64 g/mol
LogP2.77
Rot. Bonds7

About morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide

morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide (PubChem CID 174681123) has the molecular formula C30H34N6O4 and a molecular weight of 542.64 g/mol. Its IUPAC name is morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide.

Molecular Properties

Compound Namemorpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide
PubChem CID174681123
Molecular FormulaC30H34N6O4
Molecular Weight542.64 g/mol
Exact Mass542.26
IUPAC Namemorpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide
SMILESC1COCCN1.NC(=O)c1ccccc1-c1nc(-c2cccnc2)nc2ccc(OCCN3CCOCC3)cc12
InChIInChI=1S/C26H25N5O3.C4H9NO/c27-25(32)21-6-2-1-5-20(21)24-22-16-19(34-15-12-31-10-13-33-14-11-31)7-8-23(22)29-26(30-24)18-4-3-9-28-17-18;1-3-6-4-2-5-1/h1-9,16-17H,10-15H2,(H2,27,32);5H,1-4H2
InChIKeyYHMLAGXDSLNMAM-UHFFFAOYSA-N
XLogP2.77
TPSA124.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.64
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide with MolForge

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Related Compounds

5-methyl-6-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 67298576
5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-3-ylinden-1-one
CID 51002145
2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71180546
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 15086407
2-[2-methyl-5-(3-morpholin-4-ylpropoxy)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 69046538
2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 131942057
N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine
CID 59361960
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
CID 50944397
2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71180374
3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one
CID 51002367

Frequently Asked Questions

What is the IUPAC name of morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide?
The IUPAC name of morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide (CID 174681123) is morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide.
What is the SMILES notation for morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide?
The canonical SMILES for morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide is C1COCCN1.NC(=O)c1ccccc1-c1nc(-c2cccnc2)nc2ccc(OCCN3CCOCC3)cc12.
What is the InChIKey of morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide?
The InChIKey is YHMLAGXDSLNMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3.C4H9NO/c27-25(32)21-6-2-1-5-20(21)24-22-16-19(34-15-12-31-10-13-33-14-11-31)7-8-23(22)29-26(30-24)18-4-3-9-28-17-18;1-3-6-4-2-5-1/h1-9,16-17H,10-15H2,(H2,27,32);5H,1-4H2.
What are the key properties of morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide?
morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide has a molecular weight of 542.64 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;2-[6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]benzamide is sourced from PubChem (CID 174681123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).