2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine

C22H23N5O3 — CID 25060410

IUPAC2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
SMILESCOc1cc2ncc3c(N)nc(-c4cncc(OC[C@H](C)N)c4)cc3c2cc1OC
InChIInChI=1S/C22H23N5O3/c1-12(23)11-30-14-4-13(8-25-9-14)18-5-15-16-6-20(28-2)21(29-3)7-19(16)26-10-17(15)22(24)27-18/h4-10,12H,11,23H2,1-3H3,(H2,24,27)/t12-/m0/s1
InChIKeyCFWZNCTWCNPULR-LBPRGKRZSA-N
MW405.46 g/mol
LogP3.17
Rot. Bonds6

About 2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine

2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine (PubChem CID 25060410) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine.

Molecular Properties

Compound Name2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
PubChem CID25060410
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
SMILESCOc1cc2ncc3c(N)nc(-c4cncc(OC[C@H](C)N)c4)cc3c2cc1OC
InChIInChI=1S/C22H23N5O3/c1-12(23)11-30-14-4-13(8-25-9-14)18-5-15-16-6-20(28-2)21(29-3)7-19(16)26-10-17(15)22(24)27-18/h4-10,12H,11,23H2,1-3H3,(H2,24,27)/t12-/m0/s1
InChIKeyCFWZNCTWCNPULR-LBPRGKRZSA-N
XLogP3.17
TPSA118.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine?
The IUPAC name of 2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine (CID 25060410) is 2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine.
What is the SMILES notation for 2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine?
The canonical SMILES for 2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine is COc1cc2ncc3c(N)nc(-c4cncc(OC[C@H](C)N)c4)cc3c2cc1OC.
What is the InChIKey of 2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine?
The InChIKey is CFWZNCTWCNPULR-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-12(23)11-30-14-4-13(8-25-9-14)18-5-15-16-6-20(28-2)21(29-3)7-19(16)26-10-17(15)22(24)27-18/h4-10,12H,11,23H2,1-3H3,(H2,24,27)/t12-/m0/s1.
What are the key properties of 2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine?
2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine has a molecular weight of 405.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2S)-2-aminopropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine is sourced from PubChem (CID 25060410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).