C15H18ClN3O4 — CID 167995218

IUPAC—
SMILESCC1(C)OC2C(n3ccc4c(Cl)ncnc43)OC(CO)C2(C)O1
InChIInChI=1S/C15H18ClN3O4/c1-14(2)22-10-13(21-9(6-20)15(10,3)23-14)19-5-4-8-11(16)17-7-18-12(8)19/h4-5,7,9-10,13,20H,6H2,1-3H3
InChIKeyDCHUHHXGELQWQZ-UHFFFAOYSA-N
MW339.78 g/mol
LogP1.88
Rot. Bonds2

About

(PubChem CID 167995218) has the molecular formula C15H18ClN3O4 and a molecular weight of 339.78 g/mol.

Molecular Properties

Compound Name
PubChem CID167995218
Molecular FormulaC15H18ClN3O4
Molecular Weight339.78 g/mol
Exact Mass339.10
IUPAC Name—
SMILESCC1(C)OC2C(n3ccc4c(Cl)ncnc43)OC(CO)C2(C)O1
InChIInChI=1S/C15H18ClN3O4/c1-14(2)22-10-13(21-9(6-20)15(10,3)23-14)19-5-4-8-11(16)17-7-18-12(8)19/h4-5,7,9-10,13,20H,6H2,1-3H3
InChIKeyDCHUHHXGELQWQZ-UHFFFAOYSA-N
XLogP1.88
TPSA78.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[(3aS,4S,6R,6aR)-4-ethyl-2,2,3a,4-tetramethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine
CID 167586822
[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-(4-chloro-3-methylphenyl)methanol
CID 137479731
[7-[(3aS,4S,6R,6aR)-2,2,3a-trimethyl-4-(methylsulfanylmethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-yl]carbamic acid
CID 137479741
7-[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-4-(quinolin-7-yloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine;[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methanol;7-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methoxy]quinoline;7-[(3aR,4R,6R,6aR)-4-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]-4-chloropyrrolo[2,3-d]pyrimidine;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-2-(quinolin-7-yloxymethyl)oxolane-3,4-diol;methane;quinolin-7-ol
CID 157360056
(2S,3S,4R,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 93481352
[(3aS,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol
CID 165035307
[(3aS,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol
CID 163335506
[(3aR,6R,6aS)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol
CID 138688008
(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;deuterioethane
CID 165097278
7-[(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine
CID 122482752
7-[(3aR,4R,6S,6aR)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine
CID 122482754
[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 2-methylpropanoate
CID 169132844

Frequently Asked Questions

What is the IUPAC name of ?
The IUPAC name of (CID 167995218) is not available.
What is the SMILES notation for ?
The canonical SMILES for is CC1(C)OC2C(n3ccc4c(Cl)ncnc43)OC(CO)C2(C)O1.
What is the InChIKey of ?
The InChIKey is DCHUHHXGELQWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4/c1-14(2)22-10-13(21-9(6-20)15(10,3)23-14)19-5-4-8-11(16)17-7-18-12(8)19/h4-5,7,9-10,13,20H,6H2,1-3H3.
What are the key properties of ?
has a molecular weight of 339.78 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for is sourced from PubChem (CID 167995218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).