4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide

C16H20N4O — CID 14012320

IUPAC4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide
SMILESCCCc1cccc2c(N)c(C(=O)NCC3CC3)nnc12
InChIInChI=1S/C16H20N4O/c1-2-4-11-5-3-6-12-13(17)15(20-19-14(11)12)16(21)18-9-10-7-8-10/h3,5-6,10H,2,4,7-9H2,1H3,(H2,17,19)(H,18,21)
InChIKeyCFWJISWJFHGDFU-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.30
Rot. Bonds5

About 4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide

4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide (PubChem CID 14012320) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide
PubChem CID14012320
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide
SMILESCCCc1cccc2c(N)c(C(=O)NCC3CC3)nnc12
InChIInChI=1S/C16H20N4O/c1-2-4-11-5-3-6-12-13(17)15(20-19-14(11)12)16(21)18-9-10-7-8-10/h3,5-6,10H,2,4,7-9H2,1H3,(H2,17,19)(H,18,21)
InChIKeyCFWJISWJFHGDFU-UHFFFAOYSA-N
XLogP2.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide
CID 14012378
4-Amino-8-phenyl-N-propyl-3-cinnolinecarboxamide
CID 14012376
4-amino-8-(2,5-dimethylphenyl)-N-propyl-cinnoline-3-carboxamide
CID 25132065
4-Amino-8-(m-tolyl)-N-propyl-cinnoline-3-carboxamide
CID 25133443
4-amino-8-(2,6-dimethylphenyl)-N-propylcinnoline-3-carboxamide
CID 25183555
4-amino-8-(3,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide
CID 25183558
4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide
CID 54582352
4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide
CID 54583334
7-(4-Methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
CID 71061321
7-(4-Fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
CID 71061190
7-(2-Fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
CID 71061401
4-(Ethylamino)-7-(3-fluorophenyl)cinnoline-3-carboxamide
CID 136215314

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide (CID 14012320) is 4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide is CCCc1cccc2c(N)c(C(=O)NCC3CC3)nnc12.
What is the InChIKey of 4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide?
The InChIKey is CFWJISWJFHGDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-4-11-5-3-6-12-13(17)15(20-19-14(11)12)16(21)18-9-10-7-8-10/h3,5-6,10H,2,4,7-9H2,1H3,(H2,17,19)(H,18,21).
What are the key properties of 4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide?
4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide is sourced from PubChem (CID 14012320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).