2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline

C18H25N3 — CID 64858401

IUPAC2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline
SMILESCC(C)C1CN(Cc2ccc3ccccc3n2)CCCN1
InChIInChI=1S/C18H25N3/c1-14(2)18-13-21(11-5-10-19-18)12-16-9-8-15-6-3-4-7-17(15)20-16/h3-4,6-9,14,18-19H,5,10-13H2,1-2H3
InChIKeyBPWJXTLUSAYXRX-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.05
Rot. Bonds3

About 2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline

2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline (PubChem CID 64858401) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline
PubChem CID64858401
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline
SMILESCC(C)C1CN(Cc2ccc3ccccc3n2)CCCN1
InChIInChI=1S/C18H25N3/c1-14(2)18-13-21(11-5-10-19-18)12-16-9-8-15-6-3-4-7-17(15)20-16/h3-4,6-9,14,18-19H,5,10-13H2,1-2H3
InChIKeyBPWJXTLUSAYXRX-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
2-(1,4-diazepan-1-ylmethyl)quinoline
CID 15941168
3-propan-2-yl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 64856484
N-methyl-1-[1-(quinolin-2-ylmethyl)piperidin-3-yl]ethanamine
CID 63852699
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
2-[[4-(1-bromoethyl)piperidin-1-yl]methyl]quinoline
CID 106838403
3-propan-2-yl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64858405
1-[(4-bromophenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64857060
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol
CID 95632037
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124973675
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline?
The IUPAC name of 2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline (CID 64858401) is 2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline.
What is the SMILES notation for 2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline?
The canonical SMILES for 2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline is CC(C)C1CN(Cc2ccc3ccccc3n2)CCCN1.
What is the InChIKey of 2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline?
The InChIKey is BPWJXTLUSAYXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)18-13-21(11-5-10-19-18)12-16-9-8-15-6-3-4-7-17(15)20-16/h3-4,6-9,14,18-19H,5,10-13H2,1-2H3.
What are the key properties of 2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline?
2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline has a molecular weight of 283.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline is sourced from PubChem (CID 64858401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).