N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride

C20H25ClN6 — CID 170555472

IUPACN-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride
SMILESC[C@@H](CN1CCNCC1)Nc1ncnc2c(-c3ccccn3)cccc12.Cl
InChIInChI=1S/C20H24N6.ClH/c1-15(13-26-11-9-21-10-12-26)25-20-17-6-4-5-16(19(17)23-14-24-20)18-7-2-3-8-22-18;/h2-8,14-15,21H,9-13H2,1H3,(H,23,24,25);1H/t15-;/m0./s1
InChIKeyGKLNSAGUWVHUFL-RSAXXLAASA-N
MW384.92 g/mol
LogP2.82
Rot. Bonds5

About N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride

N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride (PubChem CID 170555472) has the molecular formula C20H25ClN6 and a molecular weight of 384.92 g/mol. Its IUPAC name is N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride
PubChem CID170555472
Molecular FormulaC20H25ClN6
Molecular Weight384.92 g/mol
Exact Mass384.18
IUPAC NameN-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride
SMILESC[C@@H](CN1CCNCC1)Nc1ncnc2c(-c3ccccn3)cccc12.Cl
InChIInChI=1S/C20H24N6.ClH/c1-15(13-26-11-9-21-10-12-26)25-20-17-6-4-5-16(19(17)23-14-24-20)18-7-2-3-8-22-18;/h2-8,14-15,21H,9-13H2,1H3,(H,23,24,25);1H/t15-;/m0./s1
InChIKeyGKLNSAGUWVHUFL-RSAXXLAASA-N
XLogP2.82
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.92
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride?
The IUPAC name of N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride (CID 170555472) is N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride is C[C@@H](CN1CCNCC1)Nc1ncnc2c(-c3ccccn3)cccc12.Cl.
What is the InChIKey of N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride?
The InChIKey is GKLNSAGUWVHUFL-RSAXXLAASA-N. The full InChI is InChI=1S/C20H24N6.ClH/c1-15(13-26-11-9-21-10-12-26)25-20-17-6-4-5-16(19(17)23-14-24-20)18-7-2-3-8-22-18;/h2-8,14-15,21H,9-13H2,1H3,(H,23,24,25);1H/t15-;/m0./s1.
What are the key properties of N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride?
N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride has a molecular weight of 384.92 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 170555472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).