7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide

C19H21N5O2 — CID 71060895

IUPAC7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide
SMILESCOc1cccc(Nc2ccc3c(NC(C)C)c(C(N)=O)nnc3c2)c1
InChIInChI=1S/C19H21N5O2/c1-11(2)21-17-15-8-7-13(10-16(15)23-24-18(17)19(20)25)22-12-5-4-6-14(9-12)26-3/h4-11,22H,1-3H3,(H2,20,25)(H,21,23)
InChIKeyAOBAOBXASIYUHP-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.30
Rot. Bonds6

About 7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide

7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide (PubChem CID 71060895) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide.

Molecular Properties

Compound Name7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide
PubChem CID71060895
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide
SMILESCOc1cccc(Nc2ccc3c(NC(C)C)c(C(N)=O)nnc3c2)c1
InChIInChI=1S/C19H21N5O2/c1-11(2)21-17-15-8-7-13(10-16(15)23-24-18(17)19(20)25)22-12-5-4-6-14(9-12)26-3/h4-11,22H,1-3H3,(H2,20,25)(H,21,23)
InChIKeyAOBAOBXASIYUHP-UHFFFAOYSA-N
XLogP3.30
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The IUPAC name of 7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide (CID 71060895) is 7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide.
What is the SMILES notation for 7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The canonical SMILES for 7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide is COc1cccc(Nc2ccc3c(NC(C)C)c(C(N)=O)nnc3c2)c1.
What is the InChIKey of 7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The InChIKey is AOBAOBXASIYUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11(2)21-17-15-8-7-13(10-16(15)23-24-18(17)19(20)25)22-12-5-4-6-14(9-12)26-3/h4-11,22H,1-3H3,(H2,20,25)(H,21,23).
What are the key properties of 7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyanilino)-4-(propan-2-ylamino)cinnoline-3-carboxamide is sourced from PubChem (CID 71060895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).