6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride

C21H22ClN5 — CID 25132194

IUPAC6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride
SMILESCCN(Cc1cccc2ccccc12)c1ccc2nc(N)nc(N)c2c1.Cl
InChIInChI=1S/C21H21N5.ClH/c1-2-26(13-15-8-5-7-14-6-3-4-9-17(14)15)16-10-11-19-18(12-16)20(22)25-21(23)24-19;/h3-12H,2,13H2,1H3,(H4,22,23,24,25);1H
InChIKeyPWHPURWPCBEDSN-UHFFFAOYSA-N
MW379.90 g/mol
LogP4.40
Rot. Bonds4

About 6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride

6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride (PubChem CID 25132194) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is 6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Name6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride
PubChem CID25132194
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC Name6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride
SMILESCCN(Cc1cccc2ccccc12)c1ccc2nc(N)nc(N)c2c1.Cl
InChIInChI=1S/C21H21N5.ClH/c1-2-26(13-15-8-5-7-14-6-3-4-9-17(14)15)16-10-11-19-18(12-16)20(22)25-21(23)24-19;/h3-12H,2,13H2,1H3,(H4,22,23,24,25);1H
InChIKeyPWHPURWPCBEDSN-UHFFFAOYSA-N
XLogP4.40
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.90
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride?
The IUPAC name of 6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride (CID 25132194) is 6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride.
What is the SMILES notation for 6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride?
The canonical SMILES for 6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride is CCN(Cc1cccc2ccccc12)c1ccc2nc(N)nc(N)c2c1.Cl.
What is the InChIKey of 6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride?
The InChIKey is PWHPURWPCBEDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5.ClH/c1-2-26(13-15-8-5-7-14-6-3-4-9-17(14)15)16-10-11-19-18(12-16)20(22)25-21(23)24-19;/h3-12H,2,13H2,1H3,(H4,22,23,24,25);1H.
What are the key properties of 6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride?
6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride has a molecular weight of 379.90 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-6-N-(naphthalen-1-ylmethyl)quinazoline-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 25132194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).