4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide

C15H18N4O — CID 71618658

IUPAC4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide
SMILESC=C(C)c1ccc2c(NC(C)C)c(C(N)=O)nnc2c1
InChIInChI=1S/C15H18N4O/c1-8(2)10-5-6-11-12(7-10)18-19-14(15(16)20)13(11)17-9(3)4/h5-7,9H,1H2,2-4H3,(H2,16,20)(H,17,18)
InChIKeyRIBOHAAHZTUCNI-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.58
Rot. Bonds4

About 4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide

4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide (PubChem CID 71618658) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide
PubChem CID71618658
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide
SMILESC=C(C)c1ccc2c(NC(C)C)c(C(N)=O)nnc2c1
InChIInChI=1S/C15H18N4O/c1-8(2)10-5-6-11-12(7-10)18-19-14(15(16)20)13(11)17-9(3)4/h5-7,9H,1H2,2-4H3,(H2,16,20)(H,17,18)
InChIKeyRIBOHAAHZTUCNI-UHFFFAOYSA-N
XLogP2.58
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide?
The IUPAC name of 4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide (CID 71618658) is 4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide.
What is the SMILES notation for 4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide?
The canonical SMILES for 4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide is C=C(C)c1ccc2c(NC(C)C)c(C(N)=O)nnc2c1.
What is the InChIKey of 4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide?
The InChIKey is RIBOHAAHZTUCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-8(2)10-5-6-11-12(7-10)18-19-14(15(16)20)13(11)17-9(3)4/h5-7,9H,1H2,2-4H3,(H2,16,20)(H,17,18).
What are the key properties of 4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide?
4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-7-prop-1-en-2-ylcinnoline-3-carboxamide is sourced from PubChem (CID 71618658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).