N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide

C20H30N6O2 — CID 10715191

IUPACN-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
SMILESCc1cc(=O)[nH]c2cc(NC(=O)CN3CCNCCNCCNCC3)ccc12
InChIInChI=1S/C20H30N6O2/c1-15-12-19(27)25-18-13-16(2-3-17(15)18)24-20(28)14-26-10-8-22-6-4-21-5-7-23-9-11-26/h2-3,12-13,21-23H,4-11,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyWTCFLYNMMUJWDC-UHFFFAOYSA-N
MW386.50 g/mol
LogP-0.14
Rot. Bonds3

About N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide

N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide (PubChem CID 10715191) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
PubChem CID10715191
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
SMILESCc1cc(=O)[nH]c2cc(NC(=O)CN3CCNCCNCCNCC3)ccc12
InChIInChI=1S/C20H30N6O2/c1-15-12-19(27)25-18-13-16(2-3-17(15)18)24-20(28)14-26-10-8-22-6-4-21-5-7-23-9-11-26/h2-3,12-13,21-23H,4-11,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyWTCFLYNMMUJWDC-UHFFFAOYSA-N
XLogP-0.14
TPSA101.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 5-0.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 62833287
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377407
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-6-pyrrol-1-ylhexanamide
CID 127254662
N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide
CID 60928545
2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 101390689
N-[3-(dimethylamino)phenyl]-2-piperazin-1-ylacetamide
CID 115377065
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
N-[4-(tert-butylamino)phenyl]-2-piperazin-1-ylacetamide;N-[4-(tert-butylamino)phenyl]-2-piperidin-1-ylacetamide;methane
CID 158031783

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide?
The IUPAC name of N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide (CID 10715191) is N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide is Cc1cc(=O)[nH]c2cc(NC(=O)CN3CCNCCNCCNCC3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide?
The InChIKey is WTCFLYNMMUJWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-15-12-19(27)25-18-13-16(2-3-17(15)18)24-20(28)14-26-10-8-22-6-4-21-5-7-23-9-11-26/h2-3,12-13,21-23H,4-11,14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide?
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of -0.14, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide is sourced from PubChem (CID 10715191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).