7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one

C25H36N2O3 — CID 9255988

IUPAC7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one
SMILESCc1cc2oc(=O)cc(CNCC3(N4CCOCC4)CCCCC3)c2cc1C(C)C
InChIInChI=1S/C25H36N2O3/c1-18(2)21-15-22-20(14-24(28)30-23(22)13-19(21)3)16-26-17-25(7-5-4-6-8-25)27-9-11-29-12-10-27/h13-15,18,26H,4-12,16-17H2,1-3H3
InChIKeyIKDAPYUVSILUPA-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.35
Rot. Bonds6

About 7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one

7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one (PubChem CID 9255988) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one.

Molecular Properties

Compound Name7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one
PubChem CID9255988
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one
SMILESCc1cc2oc(=O)cc(CNCC3(N4CCOCC4)CCCCC3)c2cc1C(C)C
InChIInChI=1S/C25H36N2O3/c1-18(2)21-15-22-20(14-24(28)30-23(22)13-19(21)3)16-26-17-25(7-5-4-6-8-25)27-9-11-29-12-10-27/h13-15,18,26H,4-12,16-17H2,1-3H3
InChIKeyIKDAPYUVSILUPA-UHFFFAOYSA-N
XLogP4.35
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-methyl-6-propan-2-yl-4-[[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one
CID 9263164
7-methyl-6-propan-2-yl-4-[(thiophen-2-ylmethylamino)methyl]chromen-2-one
CID 9265816
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 30833944
4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 8919865
methyl (2S)-1-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]pyrrolidine-2-carboxylate
CID 97005010
4-[[(2S)-2,3-dihydroxypropyl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 99814044
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 78721457
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 60538799
7-methyl-4-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]-6-propan-2-ylchromen-2-one
CID 27248157
4-[(4-chloro-2,5-dimethoxyanilino)methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 7516697
4-[[4-(difluoromethoxy)anilino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 134062843
4-[[1-cyclopropylethyl(methyl)amino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 51112683

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one?
The IUPAC name of 7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one (CID 9255988) is 7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one.
What is the SMILES notation for 7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one?
The canonical SMILES for 7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one is Cc1cc2oc(=O)cc(CNCC3(N4CCOCC4)CCCCC3)c2cc1C(C)C.
What is the InChIKey of 7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one?
The InChIKey is IKDAPYUVSILUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-18(2)21-15-22-20(14-24(28)30-23(22)13-19(21)3)16-26-17-25(7-5-4-6-8-25)27-9-11-29-12-10-27/h13-15,18,26H,4-12,16-17H2,1-3H3.
What are the key properties of 7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one?
7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one has a molecular weight of 412.57 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-6-propan-2-ylchromen-2-one is sourced from PubChem (CID 9255988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).