7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one

C20H20N6O — CID 16657328

IUPAC7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(Nc3nc(NC4CCC4)c4cc[nH]c4n3)ccc12
InChIInChI=1S/C20H20N6O/c1-11-9-17(27)24-16-10-13(5-6-14(11)16)23-20-25-18-15(7-8-21-18)19(26-20)22-12-3-2-4-12/h5-10,12H,2-4H2,1H3,(H,24,27)(H3,21,22,23,25,26)
InChIKeyIWARSDLMLSPXDD-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.82
Rot. Bonds4

About 7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one

7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one (PubChem CID 16657328) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one
PubChem CID16657328
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(Nc3nc(NC4CCC4)c4cc[nH]c4n3)ccc12
InChIInChI=1S/C20H20N6O/c1-11-9-17(27)24-16-10-13(5-6-14(11)16)23-20-25-18-15(7-8-21-18)19(26-20)22-12-3-2-4-12/h5-10,12H,2-4H2,1H3,(H,24,27)(H3,21,22,23,25,26)
InChIKeyIWARSDLMLSPXDD-UHFFFAOYSA-N
XLogP3.82
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one?
The IUPAC name of 7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one (CID 16657328) is 7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2cc(Nc3nc(NC4CCC4)c4cc[nH]c4n3)ccc12.
What is the InChIKey of 7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one?
The InChIKey is IWARSDLMLSPXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-11-9-17(27)24-16-10-13(5-6-14(11)16)23-20-25-18-15(7-8-21-18)19(26-20)22-12-3-2-4-12/h5-10,12H,2-4H2,1H3,(H,24,27)(H3,21,22,23,25,26).
What are the key properties of 7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one?
7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one has a molecular weight of 360.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 16657328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).