6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one

C25H29N3O — CID 166798671

IUPAC6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one
SMILESCC(C)c1nn(C)c2c(c1=O)C(Cc1cccc(-c3ccccc3)c1)C(N)CC2
InChIInChI=1S/C25H29N3O/c1-16(2)24-25(29)23-20(21(26)12-13-22(23)28(3)27-24)15-17-8-7-11-19(14-17)18-9-5-4-6-10-18/h4-11,14,16,20-21H,12-13,15,26H2,1-3H3
InChIKeyGTTFRSAJGQRMHR-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.17
Rot. Bonds4

About 6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one

6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one (PubChem CID 166798671) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one.

Molecular Properties

Compound Name6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one
PubChem CID166798671
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one
SMILESCC(C)c1nn(C)c2c(c1=O)C(Cc1cccc(-c3ccccc3)c1)C(N)CC2
InChIInChI=1S/C25H29N3O/c1-16(2)24-25(29)23-20(21(26)12-13-22(23)28(3)27-24)15-17-8-7-11-19(14-17)18-9-5-4-6-10-18/h4-11,14,16,20-21H,12-13,15,26H2,1-3H3
InChIKeyGTTFRSAJGQRMHR-UHFFFAOYSA-N
XLogP4.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one?
The IUPAC name of 6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one (CID 166798671) is 6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one.
What is the SMILES notation for 6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one?
The canonical SMILES for 6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one is CC(C)c1nn(C)c2c(c1=O)C(Cc1cccc(-c3ccccc3)c1)C(N)CC2.
What is the InChIKey of 6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one?
The InChIKey is GTTFRSAJGQRMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-16(2)24-25(29)23-20(21(26)12-13-22(23)28(3)27-24)15-17-8-7-11-19(14-17)18-9-5-4-6-10-18/h4-11,14,16,20-21H,12-13,15,26H2,1-3H3.
What are the key properties of 6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one?
6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one has a molecular weight of 387.53 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydrocinnolin-4-one is sourced from PubChem (CID 166798671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).