N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine

C18H16Cl2FN5 — CID 166539801

IUPACN-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
SMILESFc1c(Nc2ncnc3ccc(N4CCNCC4)cc23)ccc(Cl)c1Cl
InChIInChI=1S/C18H16Cl2FN5/c19-13-2-4-15(17(21)16(13)20)25-18-12-9-11(26-7-5-22-6-8-26)1-3-14(12)23-10-24-18/h1-4,9-10,22H,5-8H2,(H,23,24,25)
InChIKeySXGKFDYMRKKOOZ-UHFFFAOYSA-N
MW392.27 g/mol
LogP4.23
Rot. Bonds3

About N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine

N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine (PubChem CID 166539801) has the molecular formula C18H16Cl2FN5 and a molecular weight of 392.27 g/mol. Its IUPAC name is N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
PubChem CID166539801
Molecular FormulaC18H16Cl2FN5
Molecular Weight392.27 g/mol
Exact Mass391.08
IUPAC NameN-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
SMILESFc1c(Nc2ncnc3ccc(N4CCNCC4)cc23)ccc(Cl)c1Cl
InChIInChI=1S/C18H16Cl2FN5/c19-13-2-4-15(17(21)16(13)20)25-18-12-9-11(26-7-5-22-6-8-26)1-3-14(12)23-10-24-18/h1-4,9-10,22H,5-8H2,(H,23,24,25)
InChIKeySXGKFDYMRKKOOZ-UHFFFAOYSA-N
XLogP4.23
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
CID 166540128
tert-butyl 3-[4-(3,4-dichloro-2-fluoroanilino)quinazolin-6-yl]imidazolidine-1-carboxylate
CID 166540162
N-(3,4-dichloro-2-fluorophenyl)-6-[(3S)-3-fluoropyrrolidin-3-yl]quinazolin-4-amine
CID 166539742
[4-(3,4-dichloro-2-fluoroanilino)quinazolin-6-yl] pyrrolidine-1-carboxylate
CID 166540122
N-(3,4-dichloro-2-fluorophenyl)-7-(difluoromethoxy)-6-piperidin-4-yloxyquinazolin-4-amine
CID 155669690
1-[4-[4-(3-chloro-2-fluoroanilino)quinazolin-6-yl]piperazin-1-yl]prop-2-en-1-one
CID 166538883
4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride
CID 174765218
6-piperazin-1-ylquinazolin-4-amine
CID 175939020
N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride
CID 167487925
6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 167424492
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166538761
N-(3,4-dichloro-2-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine;hydrochloride
CID 44542523

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine?
The IUPAC name of N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine (CID 166539801) is N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine is Fc1c(Nc2ncnc3ccc(N4CCNCC4)cc23)ccc(Cl)c1Cl.
What is the InChIKey of N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine?
The InChIKey is SXGKFDYMRKKOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FN5/c19-13-2-4-15(17(21)16(13)20)25-18-12-9-11(26-7-5-22-6-8-26)1-3-14(12)23-10-24-18/h1-4,9-10,22H,5-8H2,(H,23,24,25).
What are the key properties of N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine?
N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine has a molecular weight of 392.27 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine is sourced from PubChem (CID 166539801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).