(7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone

C20H21ClN4O2 — CID 138460192

IUPAC(7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
SMILESCC1COc2cc(Cl)ccc2N1C(=O)N1CC2(C1)CN(c1cccnc1)C2
InChIInChI=1S/C20H21ClN4O2/c1-14-9-27-18-7-15(21)4-5-17(18)25(14)19(26)24-12-20(13-24)10-23(11-20)16-3-2-6-22-8-16/h2-8,14H,9-13H2,1H3
InChIKeyDUZQXXOOIJLLAK-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.26
Rot. Bonds1

About (7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone

(7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone (PubChem CID 138460192) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is (7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone.

Molecular Properties

Compound Name(7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
PubChem CID138460192
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name(7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
SMILESCC1COc2cc(Cl)ccc2N1C(=O)N1CC2(C1)CN(c1cccnc1)C2
InChIInChI=1S/C20H21ClN4O2/c1-14-9-27-18-7-15(21)4-5-17(18)25(14)19(26)24-12-20(13-24)10-23(11-20)16-3-2-6-22-8-16/h2-8,14H,9-13H2,1H3
InChIKeyDUZQXXOOIJLLAK-UHFFFAOYSA-N
XLogP3.26
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[6-(2-methylpyrimidin-4-yl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 138699391
(7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 138460202
2-(7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2,6-diazaspiro[3.3]heptane-6-carboximidamide
CID 138460639
azetidin-1-yl-(7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 138460625
bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 172702037
(7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)piperazin-1-yl]methanone
CID 138460352
(7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 138460355
2-[4-(7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 138460189
(7-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-[6-(5-methoxypyrimidin-2-yl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 138699314
(8-chloro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 138460386
(7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone
CID 138699349
(7-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-[6-(3-methoxypyrazin-2-yl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 138460611

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone?
The IUPAC name of (7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone (CID 138460192) is (7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone.
What is the SMILES notation for (7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone?
The canonical SMILES for (7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone is CC1COc2cc(Cl)ccc2N1C(=O)N1CC2(C1)CN(c1cccnc1)C2.
What is the InChIKey of (7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone?
The InChIKey is DUZQXXOOIJLLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-14-9-27-18-7-15(21)4-5-17(18)25(14)19(26)24-12-20(13-24)10-23(11-20)16-3-2-6-22-8-16/h2-8,14H,9-13H2,1H3.
What are the key properties of (7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone?
(7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone has a molecular weight of 384.87 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone is sourced from PubChem (CID 138460192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).