6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine

C23H23N3O2S — CID 164824073

IUPAC6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(N[C@@H](C)c3ccc(-c4ccccc4)s3)c2cc1OC
InChIInChI=1S/C23H23N3O2S/c1-14(21-10-11-22(29-21)16-8-6-5-7-9-16)24-23-17-12-19(27-3)20(28-4)13-18(17)25-15(2)26-23/h5-14H,1-4H3,(H,24,25,26)/t14-/m0/s1
InChIKeyPZUBMIMQAGKITQ-AWEZNQCLSA-N
MW405.52 g/mol
LogP5.86
Rot. Bonds6

About 6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine

6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine (PubChem CID 164824073) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine
PubChem CID164824073
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(N[C@@H](C)c3ccc(-c4ccccc4)s3)c2cc1OC
InChIInChI=1S/C23H23N3O2S/c1-14(21-10-11-22(29-21)16-8-6-5-7-9-16)24-23-17-12-19(27-3)20(28-4)13-18(17)25-15(2)26-23/h5-14H,1-4H3,(H,24,25,26)/t14-/m0/s1
InChIKeyPZUBMIMQAGKITQ-AWEZNQCLSA-N
XLogP5.86
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine
CID 142432726
6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine
CID 135336427
6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(3-morpholin-4-ylphenyl)thiophen-2-yl]ethyl]quinazolin-4-amine
CID 164824063
1-[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]ethylcarbamic acid
CID 135336534
6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-[4-(2-methylsulfonylethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 167649576
6,7-dimethoxy-2-methyl-N-[1-[5-[(E)-2-phenylethenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 142433044
1-[5-[5-[(1S)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]thiophen-2-yl]ethanone
CID 164824050
6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-(5-methylsulfonyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine
CID 164824047
1-[4-[5-[(1S)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]pentan-1-one
CID 167649718
[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]boronic acid
CID 142432868
6,7-dimethoxy-2-methyl-N-[1-[5-[2-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 135336409
[5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol
CID 146197308

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine (CID 164824073) is 6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine is COc1cc2nc(C)nc(N[C@@H](C)c3ccc(-c4ccccc4)s3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine?
The InChIKey is PZUBMIMQAGKITQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-14(21-10-11-22(29-21)16-8-6-5-7-9-16)24-23-17-12-19(27-3)20(28-4)13-18(17)25-15(2)26-23/h5-14H,1-4H3,(H,24,25,26)/t14-/m0/s1.
What are the key properties of 6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine?
6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine has a molecular weight of 405.52 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 164824073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).