3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide

C28H29N7O2 — CID 11755530

IUPAC3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide
SMILESCC(C)(N)CC(=O)NC1Cc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O
InChIInChI=1S/C28H29N7O2/c1-28(2,29)16-25(36)30-23-15-20-7-3-6-10-24(20)35(27(23)37)17-18-11-13-19(14-12-18)21-8-4-5-9-22(21)26-31-33-34-32-26/h3-14,23H,15-17,29H2,1-2H3,(H,30,36)(H,31,32,33,34)
InChIKeyWMMAAHFKONTAMD-UHFFFAOYSA-N
MW495.59 g/mol
LogP3.24
Rot. Bonds7

About 3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide

3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide (PubChem CID 11755530) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide
PubChem CID11755530
Molecular FormulaC28H29N7O2
Molecular Weight495.59 g/mol
Exact Mass495.24
IUPAC Name3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide
SMILESCC(C)(N)CC(=O)NC1Cc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O
InChIInChI=1S/C28H29N7O2/c1-28(2,29)16-25(36)30-23-15-20-7-3-6-10-24(20)35(27(23)37)17-18-11-13-19(14-12-18)21-8-4-5-9-22(21)26-31-33-34-32-26/h3-14,23H,15-17,29H2,1-2H3,(H,30,36)(H,31,32,33,34)
InChIKeyWMMAAHFKONTAMD-UHFFFAOYSA-N
XLogP3.24
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide (CID 11755530) is 3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide is CC(C)(N)CC(=O)NC1Cc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O.
What is the InChIKey of 3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide?
The InChIKey is WMMAAHFKONTAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-28(2,29)16-25(36)30-23-15-20-7-3-6-10-24(20)35(27(23)37)17-18-11-13-19(14-12-18)21-8-4-5-9-22(21)26-31-33-34-32-26/h3-14,23H,15-17,29H2,1-2H3,(H,30,36)(H,31,32,33,34).
What are the key properties of 3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide?
3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide has a molecular weight of 495.59 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydroquinolin-3-yl]butanamide is sourced from PubChem (CID 11755530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).