4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole

C72H80N8O3S — CID 162050976

IUPAC4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole
SMILESCC(C)(C)c1cc(-c2cscn2)nc2ccccc12.CC(C)(C)c1nc(-c2ccccc2)nc2ccccc12.COc1cc2nc(N3CCOCC3)nc(C(C)(C)C)c2cc1C.COc1ccc2c(C(C)(C)C)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H21NO.C18H25N3O2.C18H18N2.C16H16N2S/c1-20(2,3)17-13-18(14-8-6-5-7-9-14)21-19-12-15(22-4)10-11-16(17)19;1-12-10-13-14(11-15(12)22-5)19-17(20-16(13)18(2,3)4)21-6-8-23-9-7-21;1-18(2,3)16-14-11-7-8-12-15(14)19-17(20-16)13-9-5-4-6-10-13;1-16(2,3)12-8-14(15-9-19-10-17-15)18-13-7-5-4-6-11(12)13/h5-13H,1-4H3;10-11H,6-9H2,1-5H3;4-12H,1-3H3;4-10H,1-3H3
InChIKeyYYNRTZWXCVXULU-UHFFFAOYSA-N
MW1137.55 g/mol
LogP17.54
Rot. Bonds6

About 4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole

4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole (PubChem CID 162050976) has the molecular formula C72H80N8O3S and a molecular weight of 1137.55 g/mol. Its IUPAC name is 4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole
PubChem CID162050976
Molecular FormulaC72H80N8O3S
Molecular Weight1137.55 g/mol
Exact Mass1136.61
IUPAC Name4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole
SMILESCC(C)(C)c1cc(-c2cscn2)nc2ccccc12.CC(C)(C)c1nc(-c2ccccc2)nc2ccccc12.COc1cc2nc(N3CCOCC3)nc(C(C)(C)C)c2cc1C.COc1ccc2c(C(C)(C)C)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H21NO.C18H25N3O2.C18H18N2.C16H16N2S/c1-20(2,3)17-13-18(14-8-6-5-7-9-14)21-19-12-15(22-4)10-11-16(17)19;1-12-10-13-14(11-15(12)22-5)19-17(20-16(13)18(2,3)4)21-6-8-23-9-7-21;1-18(2,3)16-14-11-7-8-12-15(14)19-17(20-16)13-9-5-4-6-10-13;1-16(2,3)12-8-14(15-9-19-10-17-15)18-13-7-5-4-6-11(12)13/h5-13H,1-4H3;10-11H,6-9H2,1-5H3;4-12H,1-3H3;4-10H,1-3H3
InChIKeyYYNRTZWXCVXULU-UHFFFAOYSA-N
XLogP17.54
TPSA121.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001137.55
LogP ≤ 517.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole with MolForge

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Related Compounds

4-[4-(4-Methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine
CID 11812844
4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
CID 20814292
4,5-dimethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
CID 20814305
4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
CID 20814306
4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
CID 20814308
5-ethyl-4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
CID 20814309
N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325256
N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325342
N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325359
N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325417
N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325430
N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325474

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole?
The IUPAC name of 4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole (CID 162050976) is 4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole is CC(C)(C)c1cc(-c2cscn2)nc2ccccc12.CC(C)(C)c1nc(-c2ccccc2)nc2ccccc12.COc1cc2nc(N3CCOCC3)nc(C(C)(C)C)c2cc1C.COc1ccc2c(C(C)(C)C)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole?
The InChIKey is YYNRTZWXCVXULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO.C18H25N3O2.C18H18N2.C16H16N2S/c1-20(2,3)17-13-18(14-8-6-5-7-9-14)21-19-12-15(22-4)10-11-16(17)19;1-12-10-13-14(11-15(12)22-5)19-17(20-16(13)18(2,3)4)21-6-8-23-9-7-21;1-18(2,3)16-14-11-7-8-12-15(14)19-17(20-16)13-9-5-4-6-10-13;1-16(2,3)12-8-14(15-9-19-10-17-15)18-13-7-5-4-6-11(12)13/h5-13H,1-4H3;10-11H,6-9H2,1-5H3;4-12H,1-3H3;4-10H,1-3H3.
What are the key properties of 4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole?
4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole has a molecular weight of 1137.55 g/mol, XLogP of 17.54, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-7-methoxy-6-methylquinazolin-2-yl)morpholine;4-tert-butyl-7-methoxy-2-phenylquinoline;4-tert-butyl-2-phenylquinazoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole is sourced from PubChem (CID 162050976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).