N-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine

C19H28N6 — CID 174240638

IUPACN-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine
SMILESCC(CN1CCNCC1)Nc1ncnc2c(N3CCCC3)cccc12
InChIInChI=1S/C19H28N6/c1-15(13-24-11-7-20-8-12-24)23-19-16-5-4-6-17(18(16)21-14-22-19)25-9-2-3-10-25/h4-6,14-15,20H,2-3,7-13H2,1H3,(H,21,22,23)
InChIKeyIKTMJWBCEQLAKD-UHFFFAOYSA-N
MW340.48 g/mol
LogP1.94
Rot. Bonds5

About N-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine

N-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine (PubChem CID 174240638) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is N-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine
PubChem CID174240638
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC NameN-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine
SMILESCC(CN1CCNCC1)Nc1ncnc2c(N3CCCC3)cccc12
InChIInChI=1S/C19H28N6/c1-15(13-24-11-7-20-8-12-24)23-19-16-5-4-6-17(18(16)21-14-22-19)25-9-2-3-10-25/h4-6,14-15,20H,2-3,7-13H2,1H3,(H,21,22,23)
InChIKeyIKTMJWBCEQLAKD-UHFFFAOYSA-N
XLogP1.94
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-bromo-N-[(2S)-1-piperazin-1-ylpropan-2-yl]quinazolin-4-amine;hydrochloride
CID 170555481
N-[(2S)-1-piperazin-1-ylpropan-2-yl]-8-pyridin-2-ylquinazolin-4-amine;hydrochloride
CID 170555472
8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine
CID 156752476
tert-butyl 4-[2-[(8-bromoquinazolin-4-yl)amino]propyl]piperazine-1-carboxylate
CID 174240534
methyl 4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propan-2-ylamino]quinazoline-8-carboxylate
CID 170352873
4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine
CID 64588497
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133293036
6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine
CID 63022906
N-(1-pyrrolidin-1-ylpropan-2-yl)furo[3,2-c]pyridin-4-amine
CID 103702723
6-hydrazinyl-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80897473
6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 63728295
4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
CID 66366326

Frequently Asked Questions

What is the IUPAC name of N-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine?
The IUPAC name of N-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine (CID 174240638) is N-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine is CC(CN1CCNCC1)Nc1ncnc2c(N3CCCC3)cccc12.
What is the InChIKey of N-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine?
The InChIKey is IKTMJWBCEQLAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-15(13-24-11-7-20-8-12-24)23-19-16-5-4-6-17(18(16)21-14-22-19)25-9-2-3-10-25/h4-6,14-15,20H,2-3,7-13H2,1H3,(H,21,22,23).
What are the key properties of N-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine?
N-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine has a molecular weight of 340.48 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperazin-1-ylpropan-2-yl)-8-pyrrolidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 174240638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).