N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

C24H21N5O — CID 3234673

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3nc(-c4cccnc4)nc4ccccc34)c2c1
InChIInChI=1S/C24H21N5O/c1-30-18-8-9-21-20(13-18)16(15-27-21)10-12-26-24-19-6-2-3-7-22(19)28-23(29-24)17-5-4-11-25-14-17/h2-9,11,13-15,27H,10,12H2,1H3,(H,26,28,29)
InChIKeyBCNKHXGVUMZKQO-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.84
Rot. Bonds6

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 3234673) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID3234673
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3nc(-c4cccnc4)nc4ccccc34)c2c1
InChIInChI=1S/C24H21N5O/c1-30-18-8-9-21-20(13-18)16(15-27-21)10-12-26-24-19-6-2-3-7-22(19)28-23(29-24)17-5-4-11-25-14-17/h2-9,11,13-15,27H,10,12H2,1H3,(H,26,28,29)
InChIKeyBCNKHXGVUMZKQO-UHFFFAOYSA-N
XLogP4.84
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (CID 3234673) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is COc1ccc2[nH]cc(CCNc3nc(-c4cccnc4)nc4ccccc34)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is BCNKHXGVUMZKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-30-18-8-9-21-20(13-18)16(15-27-21)10-12-26-24-19-6-2-3-7-22(19)28-23(29-24)17-5-4-11-25-14-17/h2-9,11,13-15,27H,10,12H2,1H3,(H,26,28,29).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 395.47 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 3234673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).