[4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone

C20H25ClN2O3 — CID 134700369

IUPAC[4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCCN(CC2=Cc3cc(Cl)ccc3OC2)CC1
InChIInChI=1S/C20H25ClN2O3/c21-18-2-3-19-17(11-18)10-15(13-26-19)12-22-5-1-6-23(8-7-22)20(24)16-4-9-25-14-16/h2-3,10-11,16H,1,4-9,12-14H2
InChIKeyUZNKOVJNLGNIFI-UHFFFAOYSA-N
MW376.88 g/mol
LogP2.69
Rot. Bonds3

About [4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone

[4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone (PubChem CID 134700369) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is [4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
PubChem CID134700369
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name[4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCCN(CC2=Cc3cc(Cl)ccc3OC2)CC1
InChIInChI=1S/C20H25ClN2O3/c21-18-2-3-19-17(11-18)10-15(13-26-19)12-22-5-1-6-23(8-7-22)20(24)16-4-9-25-14-16/h2-3,10-11,16H,1,4-9,12-14H2
InChIKeyUZNKOVJNLGNIFI-UHFFFAOYSA-N
XLogP2.69
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone with MolForge

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Related Compounds

oxolan-3-yl-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 137338980
4-[[4-[(3S)-oxolane-3-carbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 95587836
[1-(6-chloro-2H-chromene-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51257683
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 55204831
(4S,9aR)-8-[(6-chloro-2H-chromen-3-yl)methyl]-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 157016573
[4-[2-(benzenesulfonyl)ethyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 137345568
N,N-dimethyl-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 131905064
N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97282357
(4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135119230
2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 86850684
oxolan-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 51126733
(6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 46245168

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone (CID 134700369) is [4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCCN(CC2=Cc3cc(Cl)ccc3OC2)CC1.
What is the InChIKey of [4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is UZNKOVJNLGNIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c21-18-2-3-19-17(11-18)10-15(13-26-19)12-22-5-1-6-23(8-7-22)20(24)16-4-9-25-14-16/h2-3,10-11,16H,1,4-9,12-14H2.
What are the key properties of [4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone?
[4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 376.88 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 134700369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).