4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide

C15H16N4O — CID 137225030

IUPAC4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide
SMILESNCCCC(=O)Nc1ccc2ccc3ccnc3c2[nH]1
InChIInChI=1S/C15H16N4O/c16-8-1-2-13(20)18-12-6-5-10-3-4-11-7-9-17-14(11)15(10)19-12/h3-7,9,19H,1-2,8,16H2,(H,18,20)
InChIKeyVMFHVFQWRMNAKY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.39
Rot. Bonds4

About 4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide

4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide (PubChem CID 137225030) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide
PubChem CID137225030
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide
SMILESNCCCC(=O)Nc1ccc2ccc3ccnc3c2[nH]1
InChIInChI=1S/C15H16N4O/c16-8-1-2-13(20)18-12-6-5-10-3-4-11-7-9-17-14(11)15(10)19-12/h3-7,9,19H,1-2,8,16H2,(H,18,20)
InChIKeyVMFHVFQWRMNAKY-UHFFFAOYSA-N
XLogP2.39
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide?
The IUPAC name of 4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide (CID 137225030) is 4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide.
What is the SMILES notation for 4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide?
The canonical SMILES for 4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide is NCCCC(=O)Nc1ccc2ccc3ccnc3c2[nH]1.
What is the InChIKey of 4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide?
The InChIKey is VMFHVFQWRMNAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-8-1-2-13(20)18-12-6-5-10-3-4-11-7-9-17-14(11)15(10)19-12/h3-7,9,19H,1-2,8,16H2,(H,18,20).
What are the key properties of 4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide?
4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide has a molecular weight of 268.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide is sourced from PubChem (CID 137225030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).